Category: 103-26-4

Efremenko, Irena published the artcileCoupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls, COA of Formula: C10H10O2, the publication is Journal of Physical Chemistry A (2021), 125(40), 8987-8999, database is CAplus and MEDLINE.

We have evaluated a set of accurate canonical CCSD(T) energies for stationary points on the potential energy surface for Ru(II, III) chloride carbonyl catalysis of two competing reactions between benzene and Me acrylate (MA), namely, hydroarylation and oxidative coupling. We have then applied this set to evaluate the performance of localized orbital coupled-cluster methods and several new and common d. functionals. We find that (a) DLPNO-CCSD(T) with TightPNO cutoffs is an acceptable substitute for full canonical CCSD(T) calculations on this system; (b) for the closed-shell systems where it could be applied, LNO-CCSD(T) with tight convergence criteria is very close to the canonical results; (c) the recent ωB97X-V and ωB97M-V functionals exhibit superior performance to commonly used DFT functionals in both closed- and open-shell calculations; (d) the revDSD-PBEP86 revision of the DSD-PBEP86 double hybrid represents an improvement over the original, even though transition metals were not involved in its parametrization; and (e) DSD-SCAN and DOD-SCAN show comparable efficiency. Most tested (meta)-GGA and hybrid d. functionals perform better for open-shell than for closed-shell complexes; this is not the case for the double hybrids considered.

Journal of Physical Chemistry A published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, COA of Formula: C10H10O2.

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

Kanafusa, Sumiyo published the artcileInfluence of pulsed electric field-assisted dehydration on the volatile compounds of basil leaves, Related Products of esters-buliding-blocks, the publication is Innovative Food Science & Emerging Technologies (2022), 102979, database is CAplus.

Pulsed elec. field (PEF) was applied to basil leaves prior air drying at 40°C. The parameters of the elec. treatment were designed in such a way that (i) electroporated the tissue reversibly, provoking a permanent opening of the stomatal guard cells and (ii) electroporated the tissue irreversibly, damaging the cells. Treated leaves lost some volatile compounds due to both PEF treatments, probably related with the direct effect of permeabilization on the secretory cells of glandular trichomes. Upon drying, the irreversible permeabilization treatment showed the highest influence on the profile of volatiles in the dried leaves showing better retention of some terpenoids than the control. The performed statistical anal. allowed to select six compounds that can be used as markers both for the effect of pre-treatments prior dehydration and for the effects of dehydration itself on the volatile compounds of basil leaves.

Innovative Food Science & Emerging Technologies published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Related Products of esters-buliding-blocks.

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

Neves dos Santos, Fabio published the artcileMetabolite mass spectrometry profiling of cacao genotypes reveals contrasting resistances to, SDS of cas: 103-26-4, the publication is Electrophoresis (2021), 42(23), 2519-2527, database is CAplus and MEDLINE.

Ceratocystis wilt is a lethal disease of cacao, and the search for resistant genotypes may provide the best way to deal with the disease. Resistance or susceptibility behavior of some cacao genotypes when infected by Ceratocystis cacaofunesta is not yet understood. Herein, we report an LC-MS metabolomic screening anal. based on high-resolution MS to obtain comprehensive metabolic profile associated with multivariate data anal. of PLS-DA, which was effective to classify CCN-51 and TSH-1188 as resistant genotypes to C. cacaofunesta fungus, while CEPEC2002 was classified as a susceptible one. Using reversed-phase LC method, electrospray interface, and high-resolution tandem MS by the quadrupole-TOF analyzer, the typical profiles of metabolites, such as phenylpropanoids, flavonoids, lipids, alkaloids, and amino acids, were obtained. Untargeted metabolite profiles were used to construct discriminant anal. by partial least squares (PLS-DA)-derived loading plots, which placed the cacao genotypes into two major clusters related to susceptible or resistant groups. Linolenic, linoleic, oleic, stearic, arachidonic, and asiatic acids were annotated metabolites of infected, susceptible, and resistant genotypes, while Me jasmonate, jasmonic acid, hydroxylated jasmonic acid, caffeine, and theobromine were annotated as constituents of the resistant genotypes. Trends of these typical metabolites levels revealed that CCN51 is susceptible, CEPEC2002 is moderately susceptible, and TSH1188 is resistant to C. cacaofunesta. Therefore, profiles of major metabolites as screened by LC-MS offer an efficient tool to reveal the level of resistance of cacao genotypes to C. cacaofunesta present in any farm around the world.

Electrophoresis published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, SDS of cas: 103-26-4.

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

Sajedi, Mohammad published the artcile2-Pyridyl-Benzimidazole-Pd(II) Complex Supported on Magnetic SBA-15: An Efficient and Magnetically Retrievable Catalyst for the Heck Reaction, Quality Control of 103-26-4, the publication is ChemistrySelect (2021), 6(46), 13060-13067, database is CAplus.

2-(2′-Pyridyl)benzimidazole (PyBzIm) was grafted onto magnetic mesoporous silica particles (Fe₃O₄@SBA) via a simple click reaction, and then further reacted with Na₂PdCl₄ in methanol. The catalyst, Fe3O4@SBA-PyBzIm-Pd(II), was characterized by FT-IR, thermogravimetric anal. (TGA), vibrating sample magnetometry (VSM), Brunauer-Emmett-Teller surface area measurement (SBET), and wide-angle X-ray diffraction spectroscopy (XRD). XPS studies confirmed some C=N nitrogen atoms interacted with palladium in the +2 oxidation state. The supported complex was found to catalyze the Heck cross-coupling reaction of aryl halides and olefins. The catalyst also presented excellent recycling efficiency over six consecutive runs without significant loss of reactivity.

ChemistrySelect published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Quality Control of 103-26-4.

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

Hafizi, Hamid published the artcileMagnetically recyclable Schiff-based palladium nanocatalyst [Fe₃O₄@SiNSB-Pd] and its catalytic applications in Heck reaction, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is Arabian Journal of Chemistry (2022), 15(7), 103914, database is CAplus.

A magnetically separable palladium nanocatalyst has been synthesized through the immobilization of palladium onto 3-aminopropylphenanthroline Schiff based functionalized silica coated superparamagnetic Fe₃O₄ nanoparticles. The nanocatalyst (Fe₃O₄@SiNSB-Pd) was fully characterized using several spectroscopic techniques, such as FT-IR, HR-SEM, TEM, XRD, ICP, and XPS. The microscopic image of Fe₃O₄ showed spherical shape morphol. and had an average size of 150 nm. The Pd-nanoparticles exhibited an average size 3.5 ± 0.6 nm. The successful functionalization of Fe₃O₄@SiNSB-Pd was identified by FT-IR spectroscopy and the appearance of palladium species in Fe₃O₄@SiNSB-Pd was confirmed by XRD anal. While XPS has been utilized for the determination of the chem. oxidation state of palladium species in Fe₃O₄@SiNSB-Pd. Several activated and deactivated arene halides and olefines were employed for Mizoroki-Heck cross-coupling reactions in the presence of Fe₃O₄@SiNSB-Pd, each of which produced the resp. cross-coupling products with excellent yields. The Fe3O4@SiNSB-Pd shows good reactivity and reusability for up to seven consecutive cycles.

Arabian Journal of Chemistry published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Recommanded Product: Methyl 3-phenyl-2-propenoate.

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

Qin, Tao published the artcileCobalt-Catalyzed Radical Hydroamination of Alkenes with N-Fluorobenzenesulfonimides, Synthetic Route of 103-26-4, the publication is Angewandte Chemie, International Edition (2021), 60(49), 25949-25957, database is CAplus and MEDLINE.

An efficient and general radical hydroamination of alkenes using Co(salen) as catalyst, N-fluorobenzenesulfonimide (NFSI) and its analogs as both nitrogen source and oxidant was successfully disclosed. A variety of alkenes, including aliphatic alkenes, styrenes, α, β-unsaturated esters, amides, acids, as well as enones, were all compatible to provide desired amination products. Mechanistic experiments suggest that the reaction underwent a metal-hydride-mediated hydrogen atom transfer (HAT) with alkene, followed by a pivotal catalyst controlled SN₂-like pathway between in-situ generated organocobalt(IV) species and nitrogen-based nucleophiles. Moreover, by virtue of modified chiral cobalt(II)-salen catalyst, an unprecedented asym. version was also achieved with good to excellent level of enantiocontrol. This novel asym. radical C-N bond construction opened a new door for the challenging asym. radical hydrofunctionalization.

Angewandte Chemie, International Edition published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Synthetic Route of 103-26-4.

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

Gao, Jie published the artcileAmbient Hydrogenation and Deuteration of Alkenes Using a Nanostructured Ni-Core-Shell Catalyst, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is Angewandte Chemie, International Edition (2021), 60(34), 18591-18598, database is CAplus and MEDLINE.

A general protocol for the selective hydrogenation and deuteration of a variety of alkenes is presented. Key to success for these reactions is the use of a specific nickel-graphitic shell-based core-shell-structured catalyst, which is conveniently prepared by impregnation and subsequent calcination of nickel nitrate on carbon at 450 °C under argon. Applying this nanostructured catalyst, both terminal and internal alkenes, which are of industrial and com. importance, were selectively hydrogenated and deuterated at ambient conditions (room temperature, using 1 bar hydrogen or 1 bar deuterium), giving access to the corresponding alkanes and deuterium-labeled alkanes in good to excellent yields. The synthetic utility and practicability of this Ni-based hydrogenation protocol is demonstrated by gram-scale reactions as well as efficient catalyst recycling experiments

Angewandte Chemie, International Edition published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Recommanded Product: Methyl 3-phenyl-2-propenoate.

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

Khachatoorian, Careen published the artcileE-cigarette fluids and aerosol residues cause oxidative stress and an inflammatory response in human keratinocytes and 3D skin models, Safety of Methyl 3-phenyl-2-propenoate, the publication is Toxicology In Vitro (2021), 105234, database is CAplus and MEDLINE.

Our goal was to evaluate the effects of EC refill fluids and EC exhaled aerosol residue (ECEAR) on cultured human keratinocytes and MatTek EpiDerm, a 3D air liquid interface human skin model. Quantification of flavor chems. and nicotine in Dewberry Cream and Churrios refill fluids was done using GC-MS. The dominant flavor chems. were maltol, ethyl maltol, vanillin, Et vanillin, benzyl alc., and furaneol. Cytotoxicity was determined with the MTT and LDH assays, and inflammatory markers were quantified with ELISAs. Churrios was cytotoxic to keratinocytes in the MTT assay, and both fluids induced ROS production in the medium (ROS-Glo) and in cells (CellROX). Exposure of EpiDerm to relevant concentrations of Dewberry Cream and Churrios for 4 or 24 h caused secretion of inflammatory markers (IL-1α, IL-6, and MMP-9), without altering EpiDerm histol. Lab made fluids with propylene glycol (PG) or PG plus a flavor chem. did not produce cytotoxic effects, but increased secretion of IL-1α and MMP-9, which was attributed to PG. ECEAR derived from Dewberry Cream and Churrios did not produce cytotoxicity with Epiderm, but Churrios ECEAR induced IL-1α secretion. These data support the conclusion that EC chems. can cause oxidative damage and inflammation to human skin.

Toxicology In Vitro published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Safety of Methyl 3-phenyl-2-propenoate.

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

Zeng, Li-Yan published the artcileO-Methylation of carboxylic acids with streptozotocin, Quality Control of 103-26-4, the publication is Organic & Biomolecular Chemistry (2022), 20(26), 5230-5233, database is CAplus and MEDLINE.

The clin. used DNA-alkylating drug streptozotocin (STZ) was investigated using a simple work-up as an O-methylating agent to transform various carboxylic acids RC(O)OH (R = 2-phenylethenyl, 2-(4-chlorophenyl)ethenyl, 3-(1H-indol-3-yl)propyl, etc.), sulfonic acids R¹S(O)₂OH (R¹ = Ph, 4-methoxyphenyl, 4-chlorophenyl) and phosphorus acids (R²)₂P(O)OH (R² = Ph, OPh) into corresponding Me esters RC(O)OMe, R¹S(O)₂OMe, (R²)₂P(O)OMe and obtained with yields of up to 97% in 4 h at room temperature Good substrate tolerance was observed, and benefited from the mild conditions and compatibility of the reaction with water.

Organic & Biomolecular Chemistry published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C8H6N2O3, Quality Control of 103-26-4.

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

Wang, Amu published the artcileRegioselective Synthesis of Pyrazolo[1,5-a]pyridine via TEMPO-Mediated [3 + 2] Annulation-Aromatization of N-Aminopyridines and α,β-Unsaturated Compounds, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is Organic Letters (2022), 24(7), 1454-1459, database is CAplus and MEDLINE.

A TEMPO-mediated [3 + 2] annulation-aromatization protocol for the preparation of pyrazolo[1,5-a]pyridines from N-aminopyridines and α,β-unsaturated compounds were developed. The procedure offered multisubstituted pyrazolo[1,5-a]pyridines in good to excellent yield with high and predictable regioselectivity. The modification of marketed drugs including Loratadine, Abiraterone and Metochalcone, a one-pot three-step gram scale synthesis of key intermediate for the preparation of Selpercatinib were demonstrated. Mechanism studies showed that TEMPO served both as a Lewis acid and as an oxidant.

Organic Letters published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C3H6O2, Recommanded Product: Methyl 3-phenyl-2-propenoate.

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