Month: November 2022

Otsuji, Yoshio; Koda, Yoshiki; Kubo, Masaru; Furukawa, Masaaki; Imoto, Eiji published the artcile< Reactivities of the heterocyclic compounds. VI. Application of the Hammett equation to pyridine compounds>, Product Details of C19H34O2, the main research area is .

5-Ethylpyridine-2-carboxylic acid (I) (12 g.) dissolved in 100 ml. AcOH and 10 g. H2SO4, 11 g. CrO3 added at 15°, and the product purified through the Cu salt gave 42% 5-acetylpyridine-2-carboxylic acid (II), m. 179-80°. Et ester of II was prepared similarly in 72% yield, b5 143-5°; 2,4-dinitrophenylhydrazone m. 226°. H2O2 (30%) (20 ml.) added to 50 ml. H2SO4 at 0-5° and 5 g. 2-aminopyridine-5-carboxylic acid in 50 ml. H2SO4 added gave after 2 days 63% 2-nitropyridine-5-carboxylic acid (III), m. 187-8°. Compounds used in this study were picolinic acid (IV), I, 5-iodo-2-carboxylic acid, II, nicotinic acid, and their Et esters, 2-methylpyridine-5-carboxylic acid, 2-chloropyridine-5-carboxylic acid, and III. The hydrolysis rates of Et 5-substituted pyridine-2-carboxylates at 25° were studied and found to be linear with Hammett σp values except for Et ester of II. Deviation of the Ac group was attributed to enolization and ionization when the Ac group was attached to an electron-drawing group. ρ was obtained as 1.56 and the small ρ was attributed to the electronegativity of N. Hydrolysis rate of 3 Et pyridinecarboxylates was in good agreement with the π-electron distribution. Dissociation constants of 5-substituted pyridine-2-carboxylic acids (V) and 2-substituted pyridine-5-carboxylic acids (VI) were obtained. V gave always higher pKa than VI, indicating that IV and its derivatives existed as zwitterions. The Hammett equation was also applicable to the dissociation and ρ was obtained as 2.31 and 1.60 for V and VI, resp., while substituted benzoic acids had 1.60 under the similar conditions. Greater ρ than that expected from ester hydrolysis must be attributed to the existence of a zwitterion of which H+ on N influences the σ values. From the ρ value the ratio of zwitterion in V was estimated as 30% in 50% EtOH. The σ value was corrected by use of the above zwitterion content and better linear correlation was obtained.

Nippon Kagaku Zasshi published new progress about Activation energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kolar, David; Kleteckova, Lenka; Skalova, Katerina; Brozka, Hana; Kalous, Martin; Vales, Karel published the artcile< Glycolytic and Krebs cycle enzymes activity in rat prefrontal cortex, hippocampus, and striatum after single and repeated NMDA inhibition by MK-801>, Synthetic Route of 112-63-0, the main research area is MK801 NMDA antagonist glycolytic Krebs cycle enzyme schizophrenia brain; Citrate synthase; Energy metabolism; Hexokinase; Lactate dehydrogenase; Malate dehydrogenase; Schizophrenia.

Psychosis is a state of altered thoughts which often accompanies schizophrenia. It was suggested that changes in energetic metabolism accompany psychosis and post-psychosis states. Here, author use the N-methyl–aspartate (NMDA) receptor antagonist MK-801 to exptl. induce psychosis-like behavior in rats. Author addressed an effect of single and repeated (5x) MK-801 application (0.3 mg/kg; i.p.) on the energy metabolism in homogenates and crude mitochondrial fraction (CMF) of the striatum (STR), prefrontal cortex (PFC), and the hippocampus (HIP) of the adult male Wistar rat (n = 39). In each brain region, author assessed activity of glycolytic (hexokinase (HK) and lactate dehydrogenase (LDH)) and Krebs cycle enzymes (citrate synthase (CS) and malate dehydrogenase (MDH)) 2 h and 3 days (3d) after the last MK-801 application together with relative respiratory rates assessment in tissue homogenate. In STR, a single MK-801 application led to a decrease in the LDH (p = 0.0035) and the increase of the MDH (p = 0.0043) activities following 3d. Therein, repeated MK-801 doses evoked increased LDH (p = 0.0204) and CS (p = 0.0019) activities in the homogenate 2 h and increased HK (p = 0.0007) 3d after the last application. Elevated HK activity within CMF was observed after 3d (p = 0.0054). In PFC, repeated MK-801 application decreased HK activity in the homogenate 3d after the final application (p = 0.0234). Correspondingly, PFC HK activity in CMF of repeated administration samples dropped (p = 0.003). In HIP, repeated MK-801 administration led to increased respiration of SDH (p = 0.0475) only 2 h after the last application and decreased CS activity (p = 0.0160) was observed 3d after the last application. Author result indicate a progressive metabolic dysregulation of glycolytic and Krebs cycle enzymes following repeated inhibition of NMDA receptors activity in a region-specific manner. Energetic alterations may form a basis for persisting cognitive problems during and following a psychosis in schizophrenia patients.

NeuroToxicology published new progress about Brain corpus striatum. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lahuta, Leslaw Bernard; Szablinska-Piernik, Joanna; Glowacka, Katarzyna; Stalanowska, Karolina; Railean-Plugaru, Viorica; Horbowicz, Marcin; Pomastowski, Pawel; Buszewski, Boguslaw published the artcile< The Effect of Bio-Synthesized Silver Nanoparticles on Germination, Early Seedling Development, and Metabolome of Wheat (Triticum aestivum L.)>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Triticum aestivum silver nanoparticle germination early seedling development metabolome; ROS; metabolic profiles; seedling; silver nanoparticles; wheat.

Changes in the metabolome of germinating seeds and seedlings caused by metal nanoparticles are poorly understood. In the present study, the effects of bio-synthesized silver nanoparticles ((Bio)Ag NPs) on grains germination, early seedlings development, and metabolic profiles of roots, coleoptile, and endosperm of wheat were analyzed. Grains germinated well in (Bio)Ag NPs suspensions at the concentration in the range 10-40 mg/L. However, the growth of coleoptile was inhibited by 25%, regardless of (Bio)Ag NPs concentration tested, whereas the growth of roots gradually slowed down along with the increasing concentration of (Bio)Ag NPs. The deleterious effect of Ag NPs on roots was manifested by their shortening, thickening, browning of roots tips, epidermal cell death, progression from apical meristem up to root hairs zone, and the inhibition of root hair development. (Bio)Ag NPs stimulated ROS production in roots and affected the metabolic profiles of all tissues. Roots accumulated sucrose, maltose, 1-kestose, phosphoric acid, and some amino acids (i.e., proline, aspartate/asparagine, hydroxyproline, and branched-chain amino acids). In coleoptile and endosperm, contrary to roots, the concentration of most metabolites decreased. Moreover, coleoptile accumulated galactose. Changes in the concentration of polar metabolites in seedlings revealed the affection of primary metabolism, disturbances in the mobilization of storage materials, and a translocation of sugars and amino acids from the endosperm to growing seedlings.

Molecules published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mahankali, Kiran; Gottumukkala, Sundeep Varma; Masurkar, Nirul; Thangavel, Naresh Kumar; Jayan, Rahul; Sawas, Abdulrazzag; Nagarajan, Sudhan; Islam, Mahbubul Md; Arava, Leela Mohana Reddy published the artcile< Unveiling the Electrocatalytic Activity of 1T'-MoSe2 on Lithium-Polysulfide Conversion Reactions>, Computed Properties of 112-63-0, the main research area is unveiling electrocatalytic molybdenum selenide lithium polysulfide conversion reaction; 2D material; electrocatalysis; lithium−sulfur; phase transformation; transition metal dichalcogenide.

The dissolution of intermediate lithium polysulfides (LiPS) into an electrolyte and their shuttling between the electrodes have been the primary bottlenecks for the commercialization of high-energy d. lithium-sulfur (Li-S) batteries. While several two-dimensional (2D) materials have been deployed in recent years to mitigate these issues, their activity is strictly restricted to their edge-plane-based active sites. Herein, for the first time, we have explored a phase transformation phenomenon in a 2D material to enhance the number of active sites and electrocatalytic activity toward LiPS redox reactions. Detailed theor. calculations demonstrate that phase transformation from the 2H to 1T’ phase in a MoSe2 material activates the basal planes that allow for LiPS adsorption. The corresponding transformation mechanism and LiPS adsorption capabilities of the as-formed 1T’-MoSe2 were elucidated exptl. using microscopic and spectroscopic techniques. Further, the electrochem. evaluation of phase-transformed MoSe2 revealed its strong electrocatalytic activity toward LiPS reduction and their oxidation reactions. The 1T’-MoSe2-based cathode hosts for sulfur later provide a superior cycling performance of over 250 cycles with a capacity loss of only 0.15% per cycle along with an excellent Coulombic efficiency of 99.6%.

ACS Applied Materials & Interfaces published new progress about Battery electrodes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Naresh, P.; Shyam Sundar, P.; Girija, K.; Pradheesh, S. J.; Shanthoshivan, A. G.; Akashwaran, S.; Swaroop, A. K.; Jubie, S. published the artcile< Drug repurposing of Daclatasvir and Famciclovir as antivirals against dengue virus infection by in silico and in vitro techniques>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is daclatasvir famciclovir antiviral drug repurposing dengue virus.

Drug repurposing is a technique for reusing an existing drug to treat another ailment. It is common knowledge that nearly all medicines used in human therapy have more than one target impact in addition to their primary action. The present work is aimed to repurpose existing antiviral drugs for dengue disease. A mol. docking study is performed with the DENVE protein for the identification of the suitable drug candidate which acts in the fusion process. For all repurposed drugs at the active site of DENVE, mol. docking experiments were performed using CLC Drug Discovery Workbench Software (PDB ID: 1OKE). The relative binding modes and the affinities of all the selected drugs were predicted and compared with the co-crystallized n-octyl-beta-D-glucopyranoside (βOG). The Daclatasvir (Score-53.52) makes hydrogen bonds with ALA50 and THY48. According to the docking score evaluation, the entire drug candidates had docking result ranging from -32.15 to -53.52. Among the drugs tested the two drugs namely Daclatasvir and Famciclovir have been identified as HITS for combating DENVE protein.

Indian Journal of Biochemistry & Biophysics published new progress about Aedes aegypti. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

van Zanten, Benjamin published the artcile< Synthesis and properties of a series of substituted 4-hydroxycoumarins>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is .

Chlorination of m-xylene with SO2Cl2 (Kharasch and Brown, CA 33, 77288) gave 70% m-MeC6H4CH2Cl, b10 90-2°, which with NaCN in EtOH-H2O yielded 86% m-MeC6H4CH2CN, b10 125-30°. 2,3-Me2C6H3NH2 was diazotized in 40% HBr, converted into 45% 2,3-Me2C6H3Br, b14 88-92°, with Cu bronze (Harms, Dissertation, Vrije Univ., Amsterdam, 1956), converted by treatment of the Grignard compound with solid CO2 into 76% 2,3-Me2C6H3CO2H, m. 146°, and then with SOCl2 to 95% acid chloride, b11 107-11°. Chloromethylation of m-xylene with paraformaldehyde in concentrated HCl (Akin, et al., CA 31, 57915) gave 72% 2,4-Me2C6H3CH2Br, b12 99-102°, which was converted as above into 94% 2,4-Me2C6H3CH2CN, b18 138-41°. Bromination of p-xylene gave 80% 2,5-Me2C6H3Br, b10 80°, which was converted into a Grignard compound and treated with solid CO2 to yield 75% 2,5-Me2C6H3CO2H, m. 133°; the latter with SOCl2 gave 90% acid chloride, b14 108°. 2,6-Me2C6H3NH2 was converted successively into 44% bromide, b20 90-3° into 70% 2,6-Me2C6H3CO2H, m. 116°, into 95% Me ester, b12 98-100°, by reduction with LiAlH4 into 91% 2,6-Me2C6H3CH2OH, m. 91-2°, with SOCl2 into 94% chloride, b13 96-7°, m. 31°, with NaCN in EtOH into 93% nitrile, b11 125-7°, m. 36°, and hydrolyzed with 50% aqueous H2SO4 into 89% 2,6-Me2C6H3CH2CO2H, m. 130°. 3,4-Me2C6H3NH2 was converted successively into 57% bromide, b13 88-90°, into 90% 3,4-Me2C6H3CO2H, m. 163-5°, and then into 60% acid chloride, b17 119-22°. Chloromethylation of o-xylene with ClCH2OMe gave 7% 3,4-Me2C6H3CH2Cl, b16 105-15°, which was converted into 85% nitrile, b10 123-8°. 3,5-Me2C6H3Br (b14 84-7°) was converted via its Grignard compound and paraformaldehyde into 20% 3,5-Me2C6H3CH2OH, b2 83-5°, which was converted into 90% chloride, b15 100-10°, and then into 60% nitrile, b15 128-32°. Mesitylene was chloromethylated to 47% 2,4,6-Me3C6H2CH2Cl, b16 119-23°, which was converted into 84% nitrile, b18 147-56°, and hydrolyzed to 87% 2,4,6-Me3C6H2CH2CO2H, m. 167°. 2-EtC6H4NH2 was converted successively into 40% bromide, b16 79-80°, into 89% benzoic acid compound, m. 68°, into 96% Et ester, b16 114-16°, into 100% 2-EtC6H4CH2OH, into 94% chloride, b20 105°, and into 96% nitrile, b20 138-40°. Chloromethylation of PhEt gave 60% 4-EtC6H4CH2Cl, b16 100-2°, which was converted into 85% nitrile, b16 148-51°, n20D 1.5172. 2,6-Et2C6H3NH2 was converted successively into 52% bromide, b16 109-14°, into 86% 2,6-Et2C6H3CO2H, m. 85°, into 75% Me ester, b13 115-21°, into 90% 2,6-Et2C6H3CH2OH, m. 65°, into 98% chloride, b11 117°, and into 73% 2,6-Et2C6H3CH2CO2H, m. 72°. 2-Iso-PrC6H4NH2 was converted successively into 46% bromide, b15 90-3°, into 83% corresponding benzoic acid, m. 96°, into 95% Et ester, b15 119-20°, into 98% 2-iso-PrC6H4CH2OH, into 91% chloride, b20 109-11°, and into 94% nitrile, b16 133-9°. Chlorination of 4-iso-PrC6H4Me gave 92% 4-iso-PrC6H4CH2Cl, b17 112-14° which was converted into 92% nitrile, b10 130-3°. 2,6-Iso-Pr2C6H3NH2 was converted successively into 44% bromide, b15 128-30°, into 68% corresponding benzoic acid, into 81% Me ester, b20 136-8°, m. 31°, into 98% corresponding benzyl alc., b20 146-8°, m. 98°, into 92% chloride, b18 136-7°, and into 97% nitrile, b0.5 116-18°, m. 60°. 2-tert-BuC6H4Br (I) (b11 97°) (Crawford and Stewart, CA 48, 6398b) was converted successively into 80% corresponding benzoic acid, m. 68°, into 90% Me ester, b15 120-3°, into 100% corresponding benzyl alc., b16 130-3°, into 90% chloride (II), b16 116-21°, into 72% nitrile, b18 148-54°, n20D 1.5230, and into 99% 2-tert-BuC6H4CH2CO2H (III), m. 84°. The Grignard compound of II treated with CO2 gave 20% III and 50% (2-tert-BuC6H4CH2)2, b0.001 140-50°, m. 83-4°. The Grignard compound (IV) of I treated with CH2:CHCH2Br in C6H6 gave 57% 2-tert-BuC6H4CH2CH:CH2 (V), b13 102-5°. Treatment of IV with Ac2O at -20° gave 40% 2-tert-BuC6H4Ac (VI), b12 112-22°. Oxidation of V or carrying out a Willgerodt reaction with VI failed to give III. 4-tert-BuC6H4CO2H was converted successively into 93% Me ester, b16 136-8°, into 95% corresponding benzyl alc., into 80% chloride, b16 122-30°, into 90% nitrile, b16 149-53°, and into 95% 4-tert-BuC6H4CH2CO2H, m. 78-9°. Chloromethylation of naphthalene gave 65% 1-C10H7CH2Cl, b5 130-5°, which was converted into 83% nitrile, b2 155-65°. Naphthalene treated with AcCl gave 80% 2-C10H7Ac, b11 155-61°, m. 30°, which was converted with S and morpholine into 84% crude thiomorpholide (VII) of 2-C10H7CH2CO2H (VIII); hydrolysis of VII with AcOH-H2SO4 yielded 72% VIII, m. 140-3°. The above compounds [arylacetic acids (IX), arylacetonitriles (X), and arylcarboxylic acid chlorides (XI)] were converted into RCH2CO2Et (XII) by the following methods: (A) esterification of the IX by refluxing with EtOH and some H2SO4; (B) esterification of the X by refluxing with 3:1 EtOH-H2SO4; and (C) treatment of the XI with CH2N2 and rearrangement of the resulting diazoketones with EtOH and Ag2O (Arndt-Eistert reaction). The following XII were prepared (R, method, % yield, b.p./mm. given): 3-MeC6H4, B, 80, 115°/15; 2,3-Me2C6H3, C, 66, 132-45°/ 15; 2,4-Me2C6H3, B, 64, 138-40°/17; 2,5-Me2C6H3, C, 67, 118-29°/12; 2,6-Me2C6H3, A, 87, 93-5°/2; 3,4-Me2C6H3, C, 30, 120-30°/7; 3,4-Me2C6H3, B, 67, 123-8°/10; 3,5-Me2C6H3, B, 80, 130-4°/14; 2,4,6-Me3C6H2, A, 64, 115°/2; 2-EtC6H4, B, 87, 134°/20; 4-EtC6H4, B, 78, 152-4°/35; 2,6-Et2C6H3, A, 96, 135-6°/10; 2-iso-PrC6H4, C, 80, 135-6°/17; 4-iso-PrC6H4, C, 81, 139-41°/15; 2,6-iso-Pr2C6H3, C, 90, 108-9°/0.5; 2-tert-BuC6H4, A, 90, 153-4°/19; 4-tert-BuC6H4, A1, 88, 134-7°/8; 1-naphthyl, B, 72, 140-5°/3; 2-naphthyl, A, 90, 135-8°/2. Dry XII (0.37 mol) and 0.70 mol dry (EtO2C)2 added during 1 min. to 0.40 mol NaOEt (from which traces of EtOH had been removed by drying in vacuo) with stirring at 40-50° while simultaneously distilling any volatile products which formed, the mixture heated to 130° with constant stirring and distilling and then to 180°/10-20 mm., cooled, treated with 200 mL. H2O, 12-15 mL. concentrated H2SO4, and 500 mL. Et2O, the Et2O layer separated, the aqueous layer extracted 4 times with Et2O, the combined Et2O solutions washed with 2N Na2CO3 until acidification no longer produced any turbidity and then with H2O until neutral to litmus, concentrated, the residue dried azeotropically with C6H6, treated with porcelain powder, heated at 180° (bath temperature)/ 10-20 mm. until no more CO2 was generated, and distilled twice gave the following RCH(CO2Et)2 (XIIa) (R, % yield, and b.p./mm. given): 3-MeC6H4, 52, 125-32°/1; 2,3-Me2C6H3, 42, 127°/1; 2,4-Me2C6H3, 94, 151°/4; 2,5-Me2C6H3, 40,128°/1.5; 2,6-Me2C6H3, 57, 122-8°/1; 3,4-Me2C6H3, 49, 137°/2; 3,5-Me2C6H3, 52, 127°/1.5; 2,4,6-Me3C6H2, 65, 150-60°/2 (m. 46-7°); 2-EtC6H4, 63, 117-18°/1; 4-EtC6H4, 60, 122-4°/1; 2,6-Et2C6H3, 42, 132-3°/1; 2-iso-PrC6H4, 75, 121°/1; 4-iso-PrC6H4, 68, 130°/1; 2,6-iso-Pr2C6H3, 36, 137-9°/1; 2-tert-BuC6H4 (XIII), 17, 130°/1; 4-tert-BuC6H4, 57, 149-52°/1; 1-naphthyl, 68, 176-7°/1 (m. 62°); 2-naphthyl, 39, 180°/2 (m. 96-7°). Attempted synthesis of XIII by the method of Cope and Field (CA 44, 5861a) failed. IV was coupled to mesoxalic ester at -70° to give 57% tartronate, b0.05 158-62°, which was converted with SOCl2 into 55% chloride, b0.01 130°, but the latter could not be reduced catalytically. The following 2-RCH2CO2C6H4CO2Me (XIV) (where R is an aliphatic or aromatic group or H) (required as intermediates by another route) were prepared by treating the XI with 2-HOC6H4CO2Me (XV) (method D) or by treating the IX with XV (method E) [methods of Stahmann, et al., CA 38, 7417). The following XIV were prepared (R, method, % yield, m.p., b.p./mm. given): Ph, D, 50, 54-5°, 160°/0.8; H, E., 90, 47-9°, -; 2-MeC6H4, D, 74, 58-61°, 180-95°/0.1 (obtained by successively converting PhCH2Cl into 50% 2-MeC6H4CH2OH, b17 112°, into 85% chloride, b15 82-6°, into 93% nitrile, b15 115-28°, into 68% 2-MeC6H4CH2CO2H, m. 88-9°, into 85% acid chloride, b15 108-9°, and condensing with XV); 4-MeC6H4, D, 55, -, 175-200°/0.05 (obtained by chlorinating p-xylene to 79% p-MeC6H4CH2Cl, b8 70-4°, and successively converting the latter to 80% nitrile, b12 115°, 80% p-MeC6H4CH2CO2H, m. 90-1°, 90% acid chloride, b9 98-9°, and condensing with XV): 2,4,6-Me3C6H2, D, 61, 64-5°, 175-85°/0.03 (obtained by condensation of 2,4,6-Me3C6H2CH2COCl, b17 134-7 °, with XV). The 3-(R-substituted) 4-hydroxycoumarins (XVI) were prepared by 3 methods. (F) Na (0.2 g. atom) in 200 mL. paraffin oil heated to 250°, the mixture treated with 0.2 mol XIV with stirring at 250°, heated and stirred 1 h. at 250°, the paraffin oil decanted, the residue washed with petr. ether, dissolved in 600 mL. H2O, the solution acidified to pH 6-7, extracted with Et2O, and acidified to pH 1-2 gave the XVI. (G) XIIa (0.1 mol) and 0.1 mol PhOH distilled azeotropically with C6H6, the mixture heated 24-72 h. at 250-300° (the reaction was terminated when a drop of the mixture solidified on cooling), poured into 400 mL. 5% aqueous NaHCO3, boiled 1 h., filtered, the filtrate acidified to pH 6-7, extracted with C6H6 or Et2O, and acidified to pH 1-2 gave the XVI. (H) PhNH2 (0.03 mol) in 12 mL. 12N HCl and 18 mL. H2O diazotized with 3 g. NaNO2 at -5°, the diazonium solution added slowly to 5 g. 4-hydroxycoumarin in 20 mL. Me2CO containing 6 g. NaOAc at -5° with stirring, treated with 1 g. CuCl2, heated to 40-50°, stirred and heated 30 min., the Me2CO distilled, the residue acidified, the precipitate filtered off, dissolved in 5% aqueous NaHCO3, and the solution worked up as in B gave the XVI. The following XVI were prepared (R, method, yield, m.p. given): Ph, F and H, 28 and 15, 234°; 2-MeC6H4, F and H, 15 and 0, 146°; 3-MeC6H4, G, 40, 205°; 4-MeC6H4, F and H, 24 and 12, 226°; 2,3-Me2C6H3, G, 43, 203°; 2,4-Me2C6H3, G, 28, 207°; 2,5-Me2C6H3, G, 45, 206°; 2,6-Me2C6H3, G, 43, 190°; 3,4-Me2C6H3, G and H, 47 and 14, 244°; 3,5-Me2C6H3, G, 35, 216°; 2,4,6-Me3C6H2, G and F, 29 and 0, 196 °; 2-EtC6H4, G, 72, 135; 4-EtC5II4, G, 59, 175°; 2,6-Et2C6H3, G, 73, 176°; 2-iso-PrC6H4, G, 57, 107°; 4-iso-PrC6H4, G, 47, 146°; 2,6-iso-Pr2C6H3, G, 76, 212°; 4-tert-BuC6H4, G, 12, 212°; 3-O2NC6H4, H, 13, 267°; 4-O2NC6H4, H, 15, 311°; 1-naphthyl, G, 46,225°; 2-naphthyl, G, 22, 281°; H, F, 25,214°. Polarog. investigation of the XVI revealed that there was no conjugation between the 4-hydroxycoumarin skeleton and the 3-substituent. On the basis of this result and of model considerations it was concluded that the plane of the 3-substituent was perpendicular to the plane of the 4-hydroxycoumarin ring. The steric effect due to o-substitution in the 3-Ph ring could be calculated from the observations and correlated with the size of the o-substituent concerned. An attempt was also made to give a theor. interpretation of the waves observed upon polarog. reduction of the XVI prepared The anticoagulant activities of the XVI were found to differ widely. The most active XVI were those having an o-group on the 3-Ph substituent of the 4-hydroxycoumarin. The differences in activity observed were related to the spatial dimensions of the mol.

Sci. Communs. Research Dept., N. V. Koninkl. Pharm. Fabrieken v/h Brocades-Stheeman & Pharmacia published new progress about Grignard reaction. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Allcock, Harry R.; Dembek, Alexa A.; Kim, Chulhee; Devine, Robert L. S.; Shi, Yongqiang; Steier, William H.; Spangler, Charles W. published the artcile< Second-order nonlinear optical poly(organophosphazenes): synthesis and nonlinear optical characterization>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is polyorganophosphazene fluoropolymer nonlinear optical property.

The preparation and 2nd-order nonlinear optical properties of a series of fluoropolymer-poly(organophosphazenes) containing covalently attached donor-acceptor-substituted conjugated moieties were reported. The polymers had the general structure [NP(OCH2CF3)x(OR)y]n, where OR = O(CH2CH2O)kC6H4(CH=CH)mC6H4NO2, where k = 1-3 and m = 1-3, O(CH2CH2O)3C6H4CH=CHC6H4CN, OCH2CH2NMeC6H4NO2, or OCH2CH2NEtC6H4N=NC6H4NO2. Model compound studies were done using the cyclic trimers N3P3(OPh)5(OR) and N3P3(OCH2CF3)5(OR), where R = (CH2CH2O)3C6H4CH=CHC6H4NO2. Structural characterization of the polymers was done using 1H- and 31P-NMR, IR and UV spectroscopies, gel permeation chromatog., and thermal anal. The 2nd-order nonlinear optical properties of polymer films were evaluated by 2nd-harmonic generation. Alignment of the nonlinear optical groups was achieved by application of an elec. field by a corona discharge. The 2nd-order nonlinear coefficient, d33, of the polymer films was determined by a Maker fringe anal. of the data and was 4.1-34 pm/V. The 2nd-harmonic generation behavior decayed upon removal of the elec. field. The variation in d33 correlated to the polymer composition and structure.

Macromolecules published new progress about Fluoropolymers, polyphosphazene- Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhao, Yanfei; Wu, Yunyan; Yuan, Guangfeng; Hao, Leiduan; Gao, Xiang; Yang, Zhenzhen; Yu, Bo; Zhang, Hongye; Liu, Zhimin published the artcile< Azole-Anion-Based Aprotic Ionic Liquids: Functional Solvents for Atmospheric CO2 Transformation into Various Heterocyclic Compounds>, Reference of 112-63-0, the main research area is cyclic carbonate quinazoline dione benzimidazolone benzothiazoline preparation; azole anion aprotic ionic liquid carbon dioxide; atmospheric chemistry; azoles; carbon dioxide; heterocyclic compounds; ionic liquids.

Herein, azole-anion-based aprotic ionic liquids (ILs) were synthesized by the deprotonation of weak proton donors (e.g., 2-methylimidazole, 4-methylimidazole, and 2,4-dimethylimidazole) with tetrabutylphosphonium hydroxide, [Bu4P][OH]. These ILs, such as [Bu4P][2-MIm], could activate atm. CO2 through the formation of carbamates. The resultant carbamate intermediates could further react with various types of substrate, including propargylic alcs., 2-aminobenzonitriles, ortho-phenylenediamines, and 2-aminothiophenol, thereby producing α-alkylidene cyclic carbonates, quinazoline-2,4(1H,3H)-diones, benzimidazolones, and benzothiazoline, resp., in moderate-to-good yields. The transformation of CO2 at atm. pressure was achieved, and this method is expected to open up new routes for the synthesis of various oxygen-containing heterocyclic compounds under metal-free conditions.

Chemistry – An Asian Journal published new progress about Alcohols, propargyl Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Biswas, Kallolmay; Kumar, Arvind; Das Sarma, Koushik published the artcile< One-Pot High-Throughput Synthesis of a 160-Membered Library of Methyl 3,5-Diaryl-isoxazoline-5-carboxylate Pharmacophores by a 2·2·2-Component Reaction>, Name: Methyl 2-(2-nitrophenyl)acetate, the main research area is aryl aldehyde arylacetate high throughput multicomponent reaction; oxime arylacrylate intermediate sequential two component reaction; diaryloxazoline carboxylate library one pot preparation.

A simple and efficient methodol. has been developed for the synthesis of Me 3,5-diaryl-isoxazoline-5-carboxylates in a high-throughput fashion from aryl aldehydes and Me arylacetates. This was accomplished in one-pot by a sequence of three 2-component reactions steps (2·2·2-CR), through oxime and α-arylacrylate intermediates, whereby compounds were obtained in overall 30-66% isolated yields. The functional group diversity was established by synthesizing a 160-membered library.

ACS Combinatorial Science published new progress about 1,3-Dipolar cycloaddition reaction. 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, Name: Methyl 2-(2-nitrophenyl)acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Le, Xuyen H.; Lee, Chun Pong; Monachello, Dario; Millar, A. Harvey published the artcile< Metabolic evidence for distinct pyruvate pools inside plant mitochondria>, HPLC of Formula: 112-63-0, the main research area is Arabidopsis mitochondria pyruvate citrate AlaAT NADME.

The majority of the pyruvate inside plant mitochondria is either transported into the matrix from the cytosol via the mitochondria pyruvate carrier (MPC) or synthesized in the matrix by alanine aminotransferase (AlaAT) or NAD-malic enzyme (NAD-ME). Pyruvate from these origins could mix into a single pool in the matrix and contribute indistinguishably to respiration via the pyruvate dehydrogenase complex (PDC), or these mols. could maintain a degree of independence in metabolic regulation. Here we demonstrate that feeding isolated mitochondria with uniformly labeled 13C-pyruvate and unlabeled malate enables the assessment of pyruvate contribution from different sources to intermediate production in the tricarboxylic acid cycle. Imported pyruvate was the preferred source for citrate production even when the synthesis of NAD-ME-derived pyruvate was optimized. Genetic or pharmacol. elimination of MPC activity removed this preference and allowed an equivalent amount of citrate to be generated from the pyruvate produced by NAD-ME. Increasing the mitochondrial pyruvate pool size by exogenous addition affected only metabolites from pyruvate transported by MPC, whereas depleting the pyruvate pool size by transamination to alanine affected only metabolic products derived from NAD-ME. PDC was more membrane-associated than AlaAT and NAD-ME, suggesting that the phys. organization of metabolic machinery may influence metabolic rates. Together, these data reveal that the respiratory substrate supply in plants involves distinct pyruvate pools inside the matrix that can be flexibly mixed on the basis of the rate of pyruvate transport from the cytosol. These pools are independently regulated and contribute differentially to organic acid export from plant mitochondria.

Nature Plants (London, United Kingdom) published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics