Category: 112-63-0

Xi, Yumeng; Su, Bo; Qi, Xiaotian; Pedram, Shayun; Liu, Peng; Hartwig, John F. published the artcile< Application of Trimethylgermanyl-Substituted Bisphosphine Ligands with Enhanced Dispersion Interactions to Copper-Catalyzed Hydroboration of Disubstituted Alkenes>, Product Details of C19H34O2, the main research area is germanyl bisphosphine ligand preparation copper catalyzed hydroboration disubstituted alkene; free energy olefin hydrocupration germanyl bisphosphine ligand transition state.

The authors report the incorporation of large substituents based on heavy main group elements that are atypical in ligand architectures to enhance dispersion interactions and, thereby, enhance enantioselectivity. Specifically, the authors prepared the chiral biaryl bisphosphine ligand (TMG-SYNPHOS) containing 3,5-bis(trimethylgermanyl)phenyl groups on P and applied this ligand to the challenging problem of enantioselective hydrofunctionalization reactions of 1,1-disubstituted alkenes. Indeed, TMG-SYNPHOS forms a Cu complex that catalyzes hydroboration of 1,1-disubstituted alkenes with high levels of enantioselectivity, even when the two substituents are both primary alkyl groups. Cu catalysts bearing ligands possessing germanyl groups were much more active for hydroboration than one derived from DTBM-SEGPHOS, a ligand containing 2,5-di-tert-Bu groups and widely used for Cu-catalyzed hydrofunctionalization. This observation led to the identification of DTMGM-SEGPHOS, a bisphosphine ligand bearing 3,5-bis(trimethylgermanyl)-4-methoxyphenyl groups as the substituents on the P, as a new ligand that forms a highly active catalyst for hydroboration of unactivated 1,2-disubstituted alkenes, a class of substrates that has not readily undergone Cu-catalyzed hydroboration previously. Computational studies revealed that the enantioselectivity and catalytic efficiency of the germanyl-substituted ligands is higher than that of the silyl and tert-Bu substituted analogs because of attractive dispersion interactions between the bulky trimethyl-germanyl groups on the ancillary ligand and the alkene substrate and that Pauli repulsive interactions tended to de-crease enantioselectivity.

Journal of the American Chemical Society published new progress about Cupration (hydrocupration, mechanism). 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

Zhao, Jianjian; Wang, Bo; Hao, Aiyou; Xing, Pengyao published the artcile< Arene-perfluoroarene interaction induced chiroptical inversion and precise ee% detection of chiral acids in a benzimidazole-involved ternary coassembly>, HPLC of Formula: 112-63-0, the main research area is pyrenecarboxylate octafluoronaphthalene hydrogen bond chiral recognition CD.

Flexible regulation of chirality and handedness of chiral functional materials and quant. sensing of natural chiral compounds remains a considerable challenge. Herein, an achiral fluorescent 1-pyrenecarboxylic acid-benzimidazole derivative (PBI) was synthesized and its chiroptical properties upon coassembly with chiral acids (TA and MA) and octafluoronaphthalene (OFN) through hydrogen bonds between benzimidazole and chiral acids as well as an arene-perfluoroarene (AP) interaction between a pyrene moiety and OFN were systemically studied. The binary assemblies of PBI/TA and PBI/MA displayed opposite chiroptical properties including CD and circularly polarized luminescence (CPL) signals. Interestingly, the handedness of CPL was further inverted in ternary assemblies due to the synergistic effect of the AP interaction and hydrogen bonds. Besides, the highly accurate chiral sensing of chiral acids via binary assemblies was successfully achieved with a high correlation coefficient This work provides a simple method for regulating the handedness of chiroptical active materials and quant. sensing of chiral acids through orthogonal multiple component coassemblies.

Nanoscale published new progress about Binary systems. 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

Fuladi, Shadi; Gholivand, Hamed; Ahmadiparidari, Alireza; Curtiss, Larry A.; Salehi-Khojin, Amin; Khalili-Araghi, Fatemeh published the artcile< Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes>, SDS of cas: 112-63-0, the main research area is phase separation mixture ionic liquid solvent lithium salt MD.

We investigate the phase behavior of ternary mixtures of ionic liquid, organic solvent, and lithium salt by mol. dynamics simulations. We find that at room temperature, the electrolyte separates into distinct phases with specific compositions; an ion-rich domain that contains a fraction of solvent mols. and a second domain of pure solvent. The phase separation is shown to be entropy-driven and is independent of lithium salt concentration Phase separation is only observed at microsecond time scales and greatly affects the transport properties of the electrolyte.

Journal of Physical Chemistry B published new progress about Diffusion (of Li+). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

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

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

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

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

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

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