Month: November 2022

Pirrung, Michael C.; Park, Kaapjoo; Tumey, L. Nathan published the artcile< 19F-Encoded Combinatorial Libraries: Discovery of Selective Metal Binding and Catalytic Peptoids>, Reference of 112-63-0, the main research area is aryl fluoride preparation labeling solid support combinatorial chem; fluorine 19 encoded combinatorial peptoid library solid phase synthesis; metal binding screening combinatorial peptoid library; acylation autocatalyst screening combinatorial peptoid library; amine cyclic anhydride coupling solid phase combinatorial library.

A 19F NMR method for encoding of combinatorial libraries has been developed. Aryl fluorides whose chem. shifts are modified by aromatic substituents were prepared and attached to resin support beads that were used in the split-pool synthesis of peptoids. The detection of the 19F NMR signal of tags derived from a single “”big bead”” was demonstrated. The library diversity arises from amines and the cyclic anhydrides used in their acylation. The resulting 90-compound library was examined for metal ion binding, whereupon novel ligands for iron and copper were discovered. The metal-binding constants of some of these peptoids were in the low micromolar range. The library was also examined for catalysis of self-acylation.

Journal of Combinatorial Chemistry published new progress about Amines Role: CMB (Combinatorial Study), 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

Karthikkeyan, Gayathree; Behera, Santosh Kumar; Upadhyay, Shubham Sukerndeo; Pervaje, Ravishankar; Prasad, Thottethodi Subrahmanya Keshava; Modi, Prashant Kumar published the artcile< Metabolomics analysis highlights Yashtimadhu (Glycyrrhiza glabra L.)-mediated neuroprotection in a rotenone-induced cellular model of Parkinson′s disease by restoring the mTORC1-AMPK1 axis in autophagic regulation>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is rotenone neuroprotective agent metabolome Glycyrrhiza mTORC1 AMPK1 parkinson disease; complementary and alternative medicine; complex-I inhibition; metabolic stress; multiple reaction monitoring; oxidative stress.

Parkinsons disease (PD) is an age-associated progressive neurodegenerative movement disorder, and its management strategies are known to cause complications with prolonged usage. We aimed to explore the neuroprotective mechanism of the Indian traditional medicine Yashtimadhu, prepared from the dried roots of Glycyrrhiza glabra L. (licorice) in the rotenone-induced cellular model of PD. Retinoic acid-differentiated IMR-32 cells were treated with rotenone (PD model) and Yashtimadhu extract Mass spectrometry-based untargeted and targeted metabolomic profiling was carried out to discover altered metabolites. The untargeted metabolomics anal. highlighted the rotenone-induced dysregulation and Yashtimadhu-mediated restoration of metabolites involved in the metabolism of nucleic acids, amino acids, lipids, and citric acid cycle. Targeted validation of citric acid cycle metabolites showed decreased α-ketoglutarate and succinate with rotenone treatment and rescued by Yashtimadhu co-treatment. The dysregulation of the citric acid cycle by rotenone-induced energetic stress via dysregulation of the mTORC1-AMPK1 axis was prevented by Yashtimadhu. Yashtimadhu co-treatment restored rotenone-induced ATG7-dependent autophagy and eventually caspases-mediated cell death. Our anal. links the metabolic alterations modulating energy stress and autophagy, which underlies the Yashtimadhu-mediated neuroprotection in the rotenone-induced cellular model of PD.

Phytotherapy Research published new progress about Apoptosis. 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

Poupardin, Olivia; Greck, Christine; Genet, Jean Pierre published the artcile< Efficient asymmetric synthesis of a functionalized Δ2-pyrazoline>, Category: esters-buliding-blocks, the main research area is pyrazolinecarboxylate asym synthesis.

The asym. synthesis of Me (4S,5R)-4-hydroxy-3-pyrazoline-5-carboxylate in 4 steps is described starting from 4,4-dimethoxy-3-oxobutanoate by sequential catalytic hydrogenation and electrophilic amination.

Tetrahedron Letters published new progress about Stereoselective synthesis. 60705-25-1 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O5, Category: esters-buliding-blocks.

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

Fuoco, Tiziana; Nguyen, Tran Tam; Kivijaervi, Tove; Finne-Wistrand, Anna published the artcile< Organocatalytic strategy to telechelic oligo(ε-caprolactone-co-p-dioxanone): Photocurable macromonomers for polyester networks>, Reference of 112-63-0, the main research area is organocatalytic telechelic oligocaprolactone dioxanone photocurable macromonomer polyester.

We have designed photocurable, telechelic macromonomers consisting of random oligo(ε-caprolactone-co-p-dioxanone), oligo(CL-co-DX), and demonstrated their suitability for preparing pliable polyester networks whose properties resemble those of gels. A versatile and effective metal-free co-oligomerization, catalyzed by di-Ph phosphate, was developed in bulk and at room temperature A high rate of conversion of monomers was achieved and oligo(CL-co-DX)s with different composition and topol. were obtained with controlled molar mass, approx. 2000 g mol-1, low dispersity and a random distribution of the two monomeric units. Kinetics anal. of the reaction disclosed a faster incorporation rate for the p-dioxanone (DX) than ε-caprolactone (CL). The extrapolated rate constant, kDX, was 0.030 min-1 against a kCL of 0.013 min-1. The reactivity ratios were resp. 2.7 (rDX) and 0.28 (rCL). A detailed NMR anal. was performed to elucidate the structure of the co-oligomers, which could be precisely controlled by varying the monomer feed ratio and initiator. Depending on the composition, amorphous to semicrystalline oligomers with m.ps. close to room temperature were obtained, which after acrylation of the chain-end gave polyester networks with high swelling capacity up to 700%, and water uptake up to 70%.

European Polymer Journal published new progress about Biodegradable materials. 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

Senichev, V. Yu.; Strelnikov, V. N.; Perepada, M. V.; Slobodinyuk, A. I. published the artcile< A New Method to Identify Rubbers and Elastomers using Swelling in Various Solvents>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is elastomer swelling solvent.

A method to identify crosslinked rubbers and elastomers is presented in this report. Three series of polyurethane elastomers with various chem. structures were swollen in selected solvents. The obtained results on the swelling degree of the studied elastomers Q, depended on the values of the solvent solubility parameters (δ1). It was found that the plots of the function Q = f(δ1) could be expressed in the forms of original diagrams useful for fast identification of rubbers and crosslinked elastomers. These diagrams were compared with each other and with the one for butyl rubber. The characteristic features of these diagrams (so-called swellograms) that were useful for the rubber identification are discussed.

Polymer Science, Series A: Polymer Physics published new progress about Butadiene rubber, hydroxy-terminated Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation) (reaction products with Scuranate T 100 and trimethylolpropane). 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

Murahashi, Shunsuke published the artcile< New derivatives of o-xylene>, Category: esters-buliding-blocks, the main research area is .

The present work concerns itself with the synthesis of o-hydroxymethylphenylacetic acid (II), HOCH2C6H4CH2CO2H, and its derivatives which hitherto have not been prepared The simplest method for preparation of II from o-C6H4(CH2Br)2 (I) seemed to be a displacement of a Br atom by means of a nitrile group and then hydrolysis of the resulting compound This method was found to be unsatisfactory. The reaction mixture consisted of a colorless oil, N-free and containing 0.8% Br, which reacted with the Grignard reagent with the evolution of CH4. 20.8 g. I was dissolved in a mixture of 60 cc. EtOH and 20 cc. H2O and brought to boiling. KCN (5.2 g. in 20 cc. H2O) was added in small portions with shaking. After 2-2.5 hrs. heating the mixture was poured into 1 l. H2O and extracted with Et2O. The ether solution after drying and removal of the solvent was fractionated; 9 g. colorless liquid, b17 122-135°. On refractionation, a fraction was obtained, b17 122-4°, which consisted largely of o-ethoxymethylbenzyl alc. (III) and a small quantity of I. This fraction was dissolved in Et2O and decomposed with freshly cut pieces of Na and allowed to stand several days with occasional removal of the precipitate formed at the surface of the Na. The precipitate was dissolved in H2O, washed with Et2O, acidified and extracted with Et2O. On distilling, a colorless liquid, b1 130-40°, was obtained. Later it solidified and m. 85-6°. Analysis showed it to be o-ethoxymethylbensoic acid (IV), C10H12O3. This is accounted for through an oxidation of a -CH2OH group in III to a carboxyl group. o-Dimethoxymethylbenzene (V), C6H4(CH2OMe)2, prepared from 39.6 g. I and MeONa (from 11 g. Na), in 20 g. yield, b25 117-19°, b16 109-11°. o-Methoxymethylbenzyl chloride (VI), was prepared by dissolving 20 g. V in 16 cc. anhydrous CCl4 and treating with a solution of 6.6 g. (0.7 mol.) AcCl. Reaction started with addition of a trace of fused ZnCl2. After cooling to room temperature, diluting with Et2O and washing with H2O, the ether layer was dried and fractionated. A colorless oil strongly irritating to the eyes, b22 116-21°, and consisting of a mixture containing more than 0.5 its weight of V was obtained. This oil was treated with a KCN solution in quantity corresponding with the AcCl consumed (5.8 g. KCN + 30 cc. EtOH + 10 cc. H2O). After 3 hrs. heating the reaction mixture was cooled, poured into H2O and fractionated, after extraction with Et2O. The product, o-methoxymethylphenacetonitrile (VII), was a colorless oil b17 151-3°. The regenerated V can be reemployed after purification with alc. KOH. From 212 g. V, 198 g. of a mixture of V and VI was obtained and this yielded 84.9 g. VII. The lactone (VIII) of o-hydroxymethylphenylacetic acid, prepared by hydrolysis of VII under varying conditions (constant boiling HBr, 1:1 and 1:2 H2SO4), m. 82.5-3.5°. A by-product of o-bromomethylphenacetonitrile (IX), m. 92-2.5°, also forms when HBr is the hydrolytic reagent. When VII is hydrolyzed with concentrated HCl o-chloromethylphenylacetic acid (X), m. 118-18.5°, was obtained. o-Methoxymethylphenylacetic acid (XI) was prepared by refluxing 20 g. VII with 60 g. KOH + 300 cc. alc. on a water bath for 11 hrs. and then working up the product in the usual manner. Yield, 76% of a colorless oil b2 136-49°. Two recrystallizations from petr. ether gave prisms m. 52-4°. The Cu, Ag and Pb salts were prepared The 1st 2 mentioned salts are difficultly soluble in H2O. o-Methoxymethylphenylacetamide (XII) was prepared by dissolving 15 g. VII in the calculated weight of absolute EtOH and saturating the solution with dry HCl gas. Recrystallization of the solid which appeared on long standing from CHCl3-CCl4 yielded crystals m. 117-18°. Hydrolysis of XII with alc. KOH yields XI. The corresponding Et ester of X was obtained by dissolving 4.25 g. VIII in 30 cc. absolute EtOH and passing dry HCl gas into the mixture for 30 min. with warming. Following removal of the solvent, the residue was diluted with H2O and extracted with Et2O, the latter washed with dilute NaOH, dried with CaCl2 and distilled 4.5 g. colorless oil, b23 163-4°, was obtained. Saponification of the latter compound, Et o-chloromethylphenylacetate, yielded VIII. A byproduct from the saponification which was not identified m. 124-4.5°. 15 g. XI, when warmed cautiously with 18 g. SOCl2, yielded 10 g. yellow oil, b4 126-36°, and a large fraction of black residue. The oil analyzed 16.8% Cl and became dark at its surface on standing. 4.48 g. of the latter oil on hydrolysis with 40 cc. 2 N KOH yielded 1.25 g. precipitate The filtrate on acidification yielded 1.4 g. VIII. The previously mentioned precipitate was dissolved in Et2O, the insoluble matter filtered off and the filtrate concentrated Several recrystallizations of the resulting crystals from petroleum ether and MeOH yielded a product soluble in Me2CO, CHCl3, C6H6, Et2O, which m. 126-6.3° and whose analysis and mol. weight corresponded closely with C20H20O4. From the Et2O mother liquor another batch of crystals was isolated which upon recrystallization first from MeOH and then EtOH m. 198-9°. Analysis and mol.-weight determinations indicated the latter was C28H36O6. The interaction of XI with POCl3 is also unusual. Although POCl3 did not react with the carboxyl group it was impossible to detect unchanged acid in the C6H6-reaction mixture Besides a small quantity of VIII, 2 neutral liquids (a) and (b) were isolated. The former, b1 200-210° and does not react with alkali. The latter b1 140-150°, and reacts with alkali, whereby a monobasic acid m. 93.5-4.5° is formed, and which analyzes for C15H14O2. Although this acid is not described in the literature it must be o-benzylphenylacetic acid and thus the reaction of XI with POCl3 in C6H6 proceeds in an unusually complicated manner; removal of a Me group, condensation with the solvent, esterification, and an unknown step leading to the formation of (a) occur one after the other.

Scientific Papers of the Institute of Physical and Chemical Research (Japan) published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Prehal, Christian; Samojlov, Aleksej; Nachtnebel, Manfred; Lovicar, Ludek; Kriechbaum, Manfred; Amenitsch, Heinz; Freunberger, Stefan A. published the artcile< In situ small-angle X-ray scattering reveals solution phase discharge of Li-O2 batteries with weakly solvating electrolytes>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is small angle X ray scattering lithium air battery electrolyte; Li-air battery; disproportionation; oxygen reduction; small-angle X-ray scattering.

Electrodepositing insulating lithium peroxide (Li2O2) is the key process during discharge of aprotic Li-O2 batteries and determines rate, capacity, and reversibility. Current understanding states that the partition between surface adsorbed and dissolved lithium superoxide governs whether Li2O2 grows as a conformal surface film or larger particles, leading to low or high capacities, resp. However, better understanding governing factors for Li2O2 packing d. and capacity requires structural sensitive in situ metrologies. Here, we establish in situ small- and wide-angle X-ray scattering (SAXS/WAXS) as a suitable method to record the Li2O2 phase evolution with at. to submicrometer resolution during cycling a custom-built in situ Li-O2 cell. Combined with sophisticated data anal., SAXS allows retrieving rich quant. structural information from complex multiphase systems. Surprisingly, we find that features are absent that would point at a Li2O2 surface film formed via two consecutive electron transfers, even in poorly solvating electrolytes thought to be prototypical for surface growth. All scattering data can be modeled by stacks of thin Li2O2 platelets potentially forming large toroidal particles. Li2O2 solution growth is further justified by rotating ring-disk electrode measurements and electron microscopy. Higher discharge overpotentials lead to smaller Li2O2 particles, but there is no transition to an electronically passivating, conformal Li2O2 coating. Hence, mass transport of reactive species rather than electronic transport through a Li2O2 film limits the discharge capacity. Provided that species mobilities and carbon surface areas are high, this allows for high discharge capacities even in weakly solvating electrolytes. The currently accepted Li-O2 reaction mechanism ought to be reconsidered.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Battery capacity. 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

Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael published the artcile< Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines>, HPLC of Formula: 94-02-0, the main research area is pyrazolodioxazine preparation atom economy; dipyrazolodioxadiazocine ketone heterocyclization insitu generated cyclic enolate iminium dipole.

An original, facile and highly efficient method for the in situ generation of cyclic enolate-iminium 1,4-dipoles via unique thermal decomposition of easily available dipyrazolodioxadiazocines was developed. Various substituted pyrazolo[5,1-d][1,3,5]dioxazines I [R1 = COOEt, PhCO, 4-MeC6H4CO, 4-ClC6H4CO; R2 = CO2Me, Ph; R3 = Me, Et; R4 = Et, t-Bu, n-Bu, i-Bu, Bn; R3R4 = (CH2)4, (CH2)5, (CH2)6, etc.] were prepared in high yields via unusual cycloconversion of dipyrazolodioxadiazocines in the presence of ketones. Furthermore, the developed method was 100% atom economical and proceeds under metal-, catalyst- and solvent-free conditions.

Organic & Biomolecular Chemistry published new progress about Atom economy. 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, HPLC of Formula: 94-02-0.

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

Brera, Carlo; Debegnach, Francesca; Minardi, Valentina; Pannunzi, Elena; De Santis, Barbara; Miraglia, Marina published the artcile< Immunoaffinity column cleanup with liquid chromatography for determination of aflatoxin B1 in corn samples: interlaboratory study>, Quality Control of 112-63-0, the main research area is aflatoxin corn immunoaffinity cleanup LC interlaboratory calibration.

An interlaboratory study was conducted to evaluate the effectiveness of an immunoaffinity column cleanup liquid chromatog. (LC) method for the determination of aflatoxin B1 levels in corn samples, enforced by European Union legislation. A test portion was extracted with methanol-water (80 + 20); the extract was filtered, diluted with phosphate-buffered saline solution, filtered on a microfiber glass filter, and applied to an immunoaffinity column. The column was washed with deionized water to remove interfering compounds, and the purified aflatoxin B1 was eluted with methanol. Aflatoxin B1 was separated and determined by reversed-phase LC with fluorescence detection after either pre- or postcolumn derivatization. Precolumn derivatization was achieved by generating the trifluoroacetic acid derivative, used by 8 laboratories The postcolumn derivatization was achieved either with pyridinium hydrobromide perbromide, used by 16 laboratories, or with an electrochem. cell by the addition of bromide to the mobile phase, used by 5 laboratories The derivatization techniques used were not significantly different when compared by the Student’s t-test; the method was statistically evaluated for all the laboratories Five corn sample materials, both spiked and naturally contaminated, were sent to 29 laboratories (22 Italian and 7 European). Test portions were spiked with aflatoxin B1 at levels of 2.00 and 5.00 ng/g. The mean values for recovery were 82% for the low level and 84% for the high contamination level. Based on results for spiked samples (blind pairs at 2 levels) as well as naturally contaminated samples (blind pairs at 3 levels), the values for relative standard deviation for repeatability (RSDr) ranged from 9.9 to 28.7%. The values for relative standard deviation for reproducibility (RSDR) ranged from 18.6 to 36.8%. The method demonstrated acceptable within- and between-laboratory precision for this matrix, as evidenced by the HorRat values.

Journal of AOAC International published new progress about Calibration, interlaboratory. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

de Ancos, Begona; Maestro, M. Carmen; Martin, M. Rosario; Mateo, Ana I. published the artcile< Reactions of pyrrolidine enamines of cyclic and acyclic 3,4-dioxobutanoic acid derivatives with dimethyl acetylenedicarboxylate. A new case of atropisomerism>, Recommanded Product: Methyl 4,4-dimethoxy-3-oxobutanoate, the main research area is pyrrolidine enamine reaction acetylenedicarboxylate atropisomerism.

Reaction conditions and structure of the starting enamines (cyclic or open-chain) determine greatly the final products of the title reactions. Whereas in benzene and acetonitrile, MeO2CCCCO2Me and pyrrolidinylbutanoate I give a mixture of the diastereoisomeric dienamines II, in methanol I affords pyrrolizine III. Enaminofuranones IV (R = Me, menthyl, R1 = H) furnish the corresponding “”Michael adducts”” (E)- and (Z)-IV and V but fail to yield pyrrolizines.

Tetrahedron published new progress about Atropisomers. 60705-25-1 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O5, Recommanded Product: Methyl 4,4-dimethoxy-3-oxobutanoate.

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