Esters-buliding-blocks

Trivedi, G. V. N. published the artcileCryogenic conditioning of microencapsulated phase change material for thermal energy storage, Recommanded Product: Dimethyl adipate, the publication is Scientific Reports (2020), 10(1), 18353, database is CAplus and MEDLINE.

Microencapsulation is a viable technique to protect and retain the properties of phase change materials (PCMs) that are used in thermal energy storage (TES) applications. In this study, an organic ester as a phase change material was microencapsulated using melamine-formaldehyde as the shell material. This microencapsulated PCM (MPCM) was examined with cyclic cryogenic treatment and combined cyclic cryogenic heat treatment processes. The surface morphol. studies showed that the shell surfaces had no distortions or roughness after cryogenic treatment. The cryogenically conditioned microcapsules exhibited diffraction peak intensity shifts and crystal structure changes. The onset of melting for the nonconditioned and conditioned microcapsules were measured to be 8.56-9.56°C, resp. Furthermore, after undergoing the cryogenic and heat treatment processes, the PCM microcapsules had appreciable latent heat capacities of 39.8 kJ/kg and 60.7 kJ/kg, resp. Addnl., the microcapsules were found to have good chem. stability after the cryogenic treatment. In addition, the cryogenically conditioned microcapsules were found to be thermally stable up to 128.9°C, whereas the nonconditioned microcapsules were stable up to 101.9°C. Based on the test results, it is obvious that the cryogenically conditioned microcapsules exhibited good thermal properties and are very desirable for cool thermal energy storage applications.

Scientific Reports published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C7H8BFO2, Recommanded Product: Dimethyl adipate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Liu, Huanxiang published the artcileIn silico screening of estrogen-like chemicals based on different nonlinear classification models, Related Products of esters-buliding-blocks, the publication is Journal of Molecular Graphics & Modelling (2007), 26(1), 135-144, database is CAplus and MEDLINE.

Increasing concern is being shown by the scientific community, government regulators, and the public about endocrine-disrupting chems. that are adversely affecting human and wildlife health through a variety of mechanisms. There is a great need for an effective means of rapidly assessing endocrine-disrupting activity, especially estrogen-simulating activity, because of the large number of such chems. in the environment. In this study, quant. structure activity relationship (QSAR) models were developed to quickly and effectively identify possible estrogen-like chems. based on 232 structurally-diverse chems. (training set) by using several nonlinear classification methodologies (least-square support vector machine (LS-SVM), counter-propagation artificial neural network (CP-ANN), and k nearest neighbor (kNN)) based on mol. structural descriptors. The models were externally validated by 87 chems. (prediction set) not included in the training set. All three methods can give satisfactory prediction results both for training and prediction sets, and the most accurate model was obtained by the LS-SVM approach through the comparison of performance. In addition, our model was also applied to about 58,000 discrete organic chems.; about 76% were predicted not to bind to estrogen receptor. The obtained results indicate that the proposed QSAR models are robust, widely applicable and could provide a feasible and practical tool for the rapid screening of potential estrogens.

Journal of Molecular Graphics & Modelling published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Schumacher, Soeren published the artcileTheoretical and Experimental Study of Monofunctional Vinyl Cyclopropanes Bearing Hydrogen Bond Enabling Side Chains, Category: esters-buliding-blocks, the publication is Macromolecules (Washington, DC, United States) (2021), 54(1), 11-21, database is CAplus.

The synthesis of four different monofunctional vinyl cyclopropane (VCP) derivatives and their polymerization behavior is presented. The different VCPs have different capabilities to form hydrogen bonds in their side chain. A preorganization due to these hydrogen bonds should lead to a fast polymerization Kinetic studies, hydrogen-bond strength, and theor. calculations were used to correlate the degree of conversion and the amount of preorganization. While VCPs capable of hydrogen bonding did not show a huge difference, a general effect of hydrogen bonds on polymerization behavior could be observed

Macromolecules (Washington, DC, United States) published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C10H7NO3, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Kim, Dong Hee published the artcileSynthesis of a ¹³C-labeled oligomer: solid-state NMR and theoretical studies, Formula: C15H14O3, the publication is Bulletin of the Korean Chemical Society (2001), 22(12), 1289-1290, database is CAplus.

The synthetic pathway, starting from poly(ethylene glycol) monomethyl ether (n = 12) and 4-Br-4′-OH-biphenyl via carboxylation of biphenyl with labeled CO₂ and the ¹H and ¹³C NMR characteristics of the ¹³C-labeled 12-4 oligomer (Me- and ethoxycarbonylbiphenyloxycarbonylbiphenyloxy-terminated dodeca(ethylene glycol) with labeled terminating carbonyl group) are reported. Ab initio NMR calculations were performed and exptl. and theor. spectra are discussed with respect to conformational and dynamic aspects.

Bulletin of the Korean Chemical Society published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Formula: C15H14O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ronsisvalle, Simone published the artcilePharmacological properties and biochemical mechanisms of μ-opioid receptor ligands might be due to different binding poses: MD studies, Recommanded Product: 3-Acetyldihydrofuran-2(3H)-one, the publication is Future Medicinal Chemistry (2020), 12(22), 2001-2018, database is CAplus and MEDLINE.

Central and peripheral analgesia without adverse effects relies on the identification of μ-opioid agonists that are able to activate basal antinociceptive pathways. Recently developed μ-selective benzomorphan agonists that are not antagonized by naloxone do not activate G-proteins and β-arrestins. Which pathways do μ receptors activate How can each of them be selectively activated What role is played by allosteric binding sites. Mol. modeling studies characterize the amino acid residues involved in the interaction with various classes of endogenous and exogenous ligands and with agonists and antagonists. Critical binding differences between various classes of agonists with different pharmacol. profiles have been identified. MML series binding poses may be relevant in the search for an antinociception agent without side effects.

Future Medicinal Chemistry published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Recommanded Product: 3-Acetyldihydrofuran-2(3H)-one.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Li, Jiajia published the artcilePhotoinduced controlled radical polymerization of methyl acrylate and vinyl acetate by xanthate, Quality Control of 19788-49-9, the publication is Polymer Chemistry (2018), 9(21), 2897-2904, database is CAplus.

A novel fluoro-xanthate, 2-((4-fluorophenoxycarbonothioyl)thio)ethyl propanoate, was developed and successfully used as a mediator in the photoinduced controlled radical polymerization of more-activated monomers (Me acrylate (MA), Bu acrylate, and N-isopropylacrylamide) and a less-activated monomer (vinyl acetate (VAc)). The controlled characteristics of the polymerization were demonstrated by the linearly increasing molar mass with conversion, producing polymers with narrow molar mass distributions (1.14-1.37) for MA and VAc. Furthermore, the block copolymer of PMA-b-PVAc was successfully synthesized through chain-extension using PMA as the macro-RAFT agent and VAc as the second monomer.

Polymer Chemistry published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Quality Control of 19788-49-9.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Zhou, Chi published the artcileCharacteristics of Metabolites by Seed-Specific Inhibition of FAD2 in Brassica napus L, Related Products of esters-buliding-blocks, the publication is Journal of Agricultural and Food Chemistry (2021), 69(19), 5452-5462, database is CAplus and MEDLINE.

Fatty acid desaturase-2 (FAD2) is a key enzyme in the production of polyunsaturated fatty acids in plants. RNAi technol. can reduce the expression of FAD2 genes in Brassica napus seeds and acquire transgenic B. napus plants with a high oleic acid content, but the effect of seed-specific inhibition of FAD2 expression on B. napus seed metabolites is not clear. Here we use widely targeted metabolomics to investigate the metabolites of normal-oleic-acid rapeseed (OA) and high-oleic-acid rapeseed (HOA) seeds, resulting in a total of 726 metabolites being detected. Among them, 24 differential metabolites were significantly downregulated and 88 differential metabolites were significantly upregulated in HOA rapeseed. In further lipid profile experiments, more lipids in B. napus seeds were accurately quantified. The contents of glycolipids and phospholipids that contain C18:1 increased significantly and C18:2 decreased because FAD2 expression was inhibited. The changes in the expression of key genes in related pathways were also consistent with the changes in metabolites. The insertion site of the ihpRNA plant expression vector was reconfirmed through genomewide resequencing, and the transgenic event did not change the sequence of FAD2 genes. There was no significant difference in the germination rate and germination potential between OA and HOA rapeseed seeds because the seed-specific ihpRNA plant expression vector did not affect other stages of plant growth. This work provides a theor. and practical guidance for subsequent mol. breeding of high OA B. napus.

Journal of Agricultural and Food Chemistry published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C6H12Br2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Galamb, V. published the artcileAlkylcobalt tetracarbonyls. V. Reaction of α-substituted α-haloacetic acid esters with sodium tetracarbonylcobaltate, Category: esters-buliding-blocks, the publication is Acta Chimica Academiae Scientiarum Hungaricae (1982), 111(2), 131-9, database is CAplus.

Treating Na[Co(CO)₄] with halo esters BrCHRCO₂R¹ (R = Me, Me₃C, Ph; R¹ = Me, Et) gave alkylcobalt tetracarbonyls RCH(CO₂R¹)Co(CO)₄, some of which were isolated. In the case of PhCHBrCO₂Et, the π-benzyl cobalt complex I was also obtained. Decomposition of the reaction mixtures yielded hydrogenated and carbonylated derivatives, along with coupling products of the starting compounds The decomposition involves radical reaction pathways. Treating Na[Co(CO)₄] with di-Et bromomalonate gave, after the usual workup, mainly the hydrogenolysis product di-Et malonate.

Acta Chimica Academiae Scientiarum Hungaricae published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Pibiri, Ivana published the artcilePhotochemical functionalization of allyl benzoates by C-H insertion, SDS of cas: 5205-11-8, the publication is Tetrahedron (2013), 69(30), 6065-6069, database is CAplus.

The photoreactivity of allyl benzoates, containing an electron-rich double bond, has been explored by irradiation at 305 nm in different solvents. Solvent addition products arising from an insertion of the alpha H-C bonds of THF, dioxane, and i-PrOH to the allylic double bond was realized. The observed reactivity depended on reaction conditions and substitution pattern of the substrate. A DFT study on this unusual reaction was performed allowing the formulation of two mechanistic pathways.

Tetrahedron published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, SDS of cas: 5205-11-8.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Zhang, Jiajun published the artcileTris(4-bromophenyl)aminium Hexachloroantimonate-Mediated Intermolecular C(sp²)-C(sp³) Free Radical Coupling of Vindoline with β-Ketoesters and Related Compounds, SDS of cas: 517-23-7, the publication is Journal of the American Chemical Society (2022), 144(1), 495-502, database is CAplus and MEDLINE.

A powerful tris(4-bromophenyl)aminium hexachloroantimonate (BAHA) mediated regioselective intermol. coupling reaction of vindoline with a wide range of substrates that include β-ketoesters, β-diketones, β-ketoaldehydes, β-ketonitriles, β-ketolactones, β-ketolactams, β-cyanoesters, and malononitriles is detailed. The BAHA-promoted intermol. sp³/sp² coupling, representing a special class of selective C-H functionalization reactions with direct carbon-carbon bond formation, proceeds with generation of a quaternary center bound to the aryl C15 center of vindoline capable of accommodating of the vinblastine C16′ Me ester and functionalized for subsequent divergent heterocycle introduction. A comprehensive examination of the reaction scope, optimization of subtle reaction parameters, and key insights into the reaction mechanism are described. Contrary to what might be prevailing expectations, studies suggest the plausible mechanism entails initial single-electron oxidation of the substrate enolate, not vindoline, and subsequent regiospecific addition of the resulting electrophilic radical to vindoline. As such and beyond the new arylation reaction with vindoline, the studies define a host of new, previously unrecognized, applications of BAHA and related triarylaminium radical cations that arises from their ability to generate stabilized electrophilic radicals from β-ketoesters and related substrates under nonreducing and metal-free conditions. Those exemplified herein include mediating stabilized enolate free radical arylation, dimerization, allylation, alkene addition, and α-oxidation reactions.

Journal of the American Chemical Society published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C12H17NS2, SDS of cas: 517-23-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics