Tag: M.W=150-200

Safety of 2-Phenylbutanoic acid. I found the field of Chemistry very interesting. Saw the article Visible-light-promoted oxidative decarboxylation of arylacetic acids in air: Metal-free synthesis of aldehydes and ketones at room temperature published in 2020, Reprint Addresses Chen, XL; Yu, B (corresponding author), Zhengzhou Univ, Coll Chem, Zhengzhou 450001, Peoples R China.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid.

A metal-free photocatalytic oxidative decarboxylation reaction at room temperature was developed for the synthesis of aromatic aldehydes and ketones from the corresponding arylacetic acids. The reaction was realized under blue-light irradiation by adding 1 mol% of 4CzIPN as photocatalyst and air as oxidant. This reaction represents a novel decarboxylation of a sp(3) -hybridized carboxylic acids without traditional heating, additional oxidants, and metal reagents under mild conditions. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

Safety of 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C in [Raimbault, Adrien; Cam Mai Anh Ma; Bonnet, Pascal; Bourg, Stephane; West, Caroline] Univ Orleans, Inst Organ & Analyt Chem, CNRS UMR 7311, Rue Chartres BP 6759, F-45067 Orleans, France; [Ferri, Martina; Baeurer, Stefanie; Laemmerhofer, Michael] Univ Tubingen, Inst Pharmaceut Sci, Pharmaceut Bio Anal, Morgenstelle 8, D-72076 Tubingen, Germany; [Ferri, Martina] Univ Perugia, Dept Pharmaceut Sci, Via Liceo 1, I-06123 Perugia, Italy published Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach in 2020, Cited 43. Product Details of 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Chiralpak ZWIX(+) and ZWIX(-), are brush-type bonded-silica chiral stationary phases (CSPs), based on complex diastereomeric Cinchona alkaloids derivatives bearing both a positive and a negative charge. In the present study, we aimed to improve the understanding of retention and enantioseparation mechanisms of these CSPs employed in supercritical fluid chromatography (SFC). For this purpose, 9 other stationary phases were used as comparison systems: two of them are commercially available and bear only a positive charge (Chiralpak QN-AX and QD-AX) and the 7 others were designed purposely to be structurally similar to the parent ZWIX phases, but miss some portion of the complex ligand. First, cluster analysis was employed to identify similar and dissimilar behavior among the 11 stationary phases, where ionic interactions appeared to dominate the observed differences. Secondly, the stationary phases were characterized with linear solvation energy relationships (LSER) based on the SFC analysis of 161 achiral analytes and a modified version of the solvation parameter model to include ionic interactions. This served to compare the interaction capabilities for the 11 stationary phases and showed in particular the contribution of attractive and repulsive ionic interactions. Then the ZWIX phases were characterized for their enantioseparation capabilities with a set of 58 racemic probes. Discriminant analysis was applied to explore the molecular structural features that are useful to successful enantioseparation on the ZWIX phases. In particular, it appeared that the presence of positive charges in the analyte is causing increased retention but is not necessarily a favorable feature to enantiorecognition. On the opposite, the presence of negative charges in the analyte favors early elution and enantiorecognition. Finally, a smaller set of 30 pairs of enantiomers, selected by their structural diversity and different enantioseparation values on the ZWIX phases, were analyzed on all chiral phases to observe the contribution of each structural fragment of the chiral ligand on enantioselectivity. Molecular modelling of the ligands also helped in understanding the three-dimensional arrangement of each ligand, notably the intra-molecular hydrogen bonding or the possible contribution of ionic interactions. In the end, each structural element in the ZWIX phases appeared to be a significant contributor to successful enantioresolution, whether they contribute as direct interaction groups (ion-exchange functions) or as steric constraints to orientate the interacting groups towards the analytes. (C) 2019 Elsevier B.V. All rights reserved.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Category: Benzisoxazole. In 2019 TETRAHEDRON published article about ANALOGS; INHIBITORS in [Atmaca, Ufuk] Ataturk Univ, Fac Sci, Dept Chem, TR-25240 Erzurum, Turkey; [Atmaca, Ufuk] Ataturk Univ, Oltu Vocat Sch, TR-25400 Oltu Erzurum, Turkey in 2019, Cited 14. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Effective synthesis of novel sulfamates from various carboxylic acids has been developed in the presence of chlorosulfonyl isocyanate (CSI) in mild conditions. Several acids, bases and solvents effects were investigated for one-pot synthesis sulfamates as a catalyst. Finally, triflic acid was found to possess efficiently under optimized conditions in acetonitrile. This method is easy, fair price and practical. It can be synthesized on grams and milligrams scale. (C) 2019 Elsevier Ltd. All rights reserved.

Category: Benzisoxazole. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Safety of 2-Phenylbutanoic acid. In 2019 ACS CATAL published article about C-H AMINATION; COMPOUND-I; CYTOCHROME-P450 PEROXYGENASE; SUBSTRATE HYDROXYLATION; BACILLUS-SUBTILIS; DRUG-METABOLISM; HEME; ENZYMES; DECARBOXYLATION; REACTIVITY in [Pickl, Mathias; Kurakin, Sara; Schmid, Philipp; Poecheim, Alexander; Winkler, Christoph K.; Kroutil, Wolfgang; Faber, Kurt] Graz Univ, Dept Chem Organ & Bioorgan Chem, Heinrichstr 28, A-8010 Graz, Austria; [Winkler, Christoph K.] Austrian Ctr Ind Biotechnol ACIB GmbH, Petersgasse 14, A-8010 Graz, Austria; [Reinhard, Fabian G. Cantu; de Visser, Sam P.] Univ Manchester, Manchester Inst Biotechnol, 131 Princess St, Manchester M1 7DN, Lancs, England; [Reinhard, Fabian G. Cantu; de Visser, Sam P.] Univ Manchester, Sch Chem Engn & Analyt Sci, 131 Princess St, Manchester M1 7DN, Lancs, England in 2019, Cited 98. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

The majority of cytochrome P450 enzymes (CYPs) predominantly operate as monooxygenases, but recently a class of P450 enzymes was discovered, that can act as peroxygenases (CYP152). These enzymes convert fatty acids through oxidative decarboxylation, yielding terminal alkenes, and through alpha- and beta-hydroxylation to yield hydroxy-fatty acids. Bioderived olefins may serve as biofuels, and hence understanding the mechanism and substrate scope of this class of enzymes is important. In this work, we report on the substrate scope and catalytic promiscuity of CYP OleT(JE) and two of its orthologues from the CYP152 family, utilizing alpha-monosubstituted branched carboxylic acids. We identify alpha,beta-desaturation as an unexpected dominant pathway for CYP OleT(JE) with 2-methylbutyric acid. To rationalize product distributions arising from alpha/beta-hydroxylation, oxidative decarboxylation, and desaturation depending on the substrate’s structure and binding pattern, a computational study was performed based on an active site complex of CYP OleT(JE) containing the heme cofactor in the substrate binding pocket and 2-methylbutyric acid as substrate. It is shown that substrate positioning determines the accessibility of the oxidizing species (Compound I) to the substrate and hence the regio- and chemoselectivity of the reaction. Furthermore, the results show that, for 2-methylbutyric acid, alpha,beta-desaturation is favorable because of a rate-determining alpha-hydrogen atom abstraction, which cannot proceed to decarboxylation. Moreover, substrate hydroxylation is energetically impeded due to the tight shape and size of the substrate binding pocket.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Rhenium-Catalyzed Reduction of Carboxylic Acids with Hydrosilanes WOS:000489200100006 published article about ONE-POT CONVERSION; SELECTIVE REDUCTION; FACILE REDUCTION; ENANTIOSELECTIVE REDUCTION; CONVENIENT SYNTHESIS; LIGANDS SYNTHESIS; SALEN COMPLEXES; CARBONYL GROUPS; METHYL SULFIDE; ALDEHYDES in [Wei, Duo] Univ Rennes, CNRS, ISCR UMR 6226, F-35000 Rennes, France; [Wei, Duo; Buhaibeh, Ruqaya; Canac, Yves; Sortais, Jean-Baptiste] Univ Toulouse, UPS, CNRS, LCC, Toulouse, France; [Sortais, Jean-Baptiste] Inst Univ France, 1 Rue Descartes, F-75231 Paris 05, France in 2019, Cited 59. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Name: 2-Phenylbutanoic acid

Re-2(CO)(10) efficiently catalyzes the direct reduction of various carboxylic acids under mild conditions (rt, irradiation 350 or 395 nm). While aliphatic carboxylic acids were readily converted to the corresponding disilylacetals with low catalyst loading (0.5 mol %) in the presence of Et3SiH (2.2 equiv), aromatic analogues required more drastic conditions (Re-2(CO)(10) 5 mol %, Ph2MeSiH 4.0 equiv) to afford the corresponding aldehydes after acid treatment.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Decarboxylative Acetoxylation of Aliphatic Carboxylic Acids WOS:000489201000030 published article about LIGHT PHOTOREDOX CATALYSIS; ALKYL RADICALS; 9-MESITYL-10-METHYLACRIDINIUM ION; OXIDATIVE DECARBOXYLATION; ESLICARBAZEPINE ACETATE; BENZOIC-ACIDS; AMINO-ACIDS; OLEFINATION; ARYLATION; 4-ACETOXY-2-AZETIDINONES in [Senaweera, Sameera; Cartwright, Kaitie C.; Tunge, Jon A.] Univ Kansas, Dept Chem, 1567 Irving Hill Rd, Lawrence, KS 66045 USA in 2019, Cited 82. Computed Properties of C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Organic molecules bearing acetoxy moieties are important functionalities in natural products, drugs, and agricultural chemicals. Synthesis of such molecules via transition metal-catalyzed C-O bond formation can be achieved in the presence of a carefully chosen directing group to alleviate the challenges associated with regioselectivity. An alternative approach is to use ubiquitous carboxylic acids as starting materials and perform a decarboxylative coupling. Herein, we report conditions for a photocatalytic decarboxylative C-O bond formation reaction that provides rapid and facile access to the corresponding acetoxylated products. Mechanistic investigations suggest that the reaction operates via oxidation of the carboxylate followed by rapid decarboxylation and oxidation by Cu(OAc)(2).

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Authors Fulton, TJ; Cusumano, AQ; Alexy, EJ; Du, YE; Zhang, HM; Houk, KN; Stoltz, BM in AMER CHEMICAL SOC published article about DIASTEREOSELECTIVE SYNTHESIS; STEREOSELECTIVE-SYNTHESIS; ESTERS; BOAT in [Fulton, Tyler J.; Cusumano, Alexander Q.; Alexy, Eric J.; Du, Yun E.; Stoltz, Brian M.] CALTECH, Warren & Katharine Schlinger Lab Chem & Chem Engn, Div Chem & Chem Engn, Pasadena, CA 91125 USA; [Zhang, Haiming] Genentech Inc, Small Mol Proc Chem, San Francisco, CA 94080 USA; [Houk, K. N.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA in 2020, Cited 35. Recommanded Product: 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

A dual experimental/theoretical investigation of the Ireland-Claisen rearrangement of tetrasubstituted alpha-phthalimido ester enolates to afford alpha-tetrasubstituted, beta-trisubstituted alpha-amino acids (generally >20:1 dr) is described. For trans allylic olefins, the Z- and E-enol ethers proceed through chair and boat transition states, respectively. For cis allylic olefins, the trend is reversed. As a result, the diastereochemical outcome of the reaction is preserved regardless of the geometry of the enolate or the accompanying allylic olefin. We term this unique convergence of all possible olefin isomers global diastereoconvergence. This reaction manifold circumvents limitations in present-day technologies for the stereoselective enolization of alpha,alpha-disubstituted allyl esters. Density functional theory paired with state-of-the-art local coupled-cluster theory (DLPNO-CCSD(T)) was employed for the accurate determination of quantum mechanical energies.

Welcome to talk about 90-27-7, If you have any questions, you can contact Fulton, TJ; Cusumano, AQ; Alexy, EJ; Du, YE; Zhang, HM; Houk, KN; Stoltz, BM or send Email.. Recommanded Product: 2-Phenylbutanoic acid

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Rhenium-Catalyzed Reduction of Carboxylic Acids with Hydrosilanes WOS:000489200100006 published article about ONE-POT CONVERSION; SELECTIVE REDUCTION; FACILE REDUCTION; ENANTIOSELECTIVE REDUCTION; CONVENIENT SYNTHESIS; LIGANDS SYNTHESIS; SALEN COMPLEXES; CARBONYL GROUPS; METHYL SULFIDE; ALDEHYDES in [Wei, Duo] Univ Rennes, CNRS, ISCR UMR 6226, F-35000 Rennes, France; [Wei, Duo; Buhaibeh, Ruqaya; Canac, Yves; Sortais, Jean-Baptiste] Univ Toulouse, UPS, CNRS, LCC, Toulouse, France; [Sortais, Jean-Baptiste] Inst Univ France, 1 Rue Descartes, F-75231 Paris 05, France in 2019, Cited 59. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 90-27-7

Re-2(CO)(10) efficiently catalyzes the direct reduction of various carboxylic acids under mild conditions (rt, irradiation 350 or 395 nm). While aliphatic carboxylic acids were readily converted to the corresponding disilylacetals with low catalyst loading (0.5 mol %) in the presence of Et3SiH (2.2 equiv), aromatic analogues required more drastic conditions (Re-2(CO)(10) 5 mol %, Ph2MeSiH 4.0 equiv) to afford the corresponding aldehydes after acid treatment.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

In 2020 CHINESE CHEM LETT published article about CARBOXYLIC-ACIDS; PHENYLACETIC ACIDS; AEROBIC OXIDATION; CATALYST; PHOSPHORYLATION; ARYLHYDRAZINES; BENZYLATION; PALLADIUM; ACYLATION; ALCOHOLS in [He, Shuaiqi; Chen, Xiaolan; Zeng, Fanlin; Lu, Peipei; Qu, Lingbo; Yu, Bing] Zhengzhou Univ, Coll Chem, Zhengzhou 450001, Peoples R China; [Yu, Bing] Henan Nonferrous Met Geol Explorat Inst, Zhengzhou 450052, Peoples R China; [Peng, Yuyu] Changsha Univ Sci & Technol, Hunan Prov Key Lab Mat Protect Elect Power & Tran, Changsha 410114, Peoples R China in 2020, Cited 66. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Computed Properties of C10H12O2

A metal-free photocatalytic oxidative decarboxylation reaction at room temperature was developed for the synthesis of aromatic aldehydes and ketones from the corresponding arylacetic acids. The reaction was realized under blue-light irradiation by adding 1 mol% of 4CzIPN as photocatalyst and air as oxidant. This reaction represents a novel decarboxylation of a sp(3) -hybridized carboxylic acids without traditional heating, additional oxidants, and metal reagents under mild conditions. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

Computed Properties of C10H12O2. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article To Bind or Not to Bind: Mechanistic Insights into C-CO2 Bond Formation with Late Transition Metals WOS:000529146900023 published article about MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; RHODIUM-CATALYZED HYDROCARBOXYLATION; AB-INITIO PSEUDOPOTENTIALS; CARBON-DIOXIDE; BASIS-SETS; CO2 INSERTION; DIRECT CARBOXYLATION; ALKYNES; BORACARBOXYLATION in [Garcia-Lopez, Diego; Pavlovic, Ljiljana; Hopmann, Kathrin H.] UiT Arctic Univ Norway, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-9037 Tromso, Norway in 2020, Cited 72. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 2-Phenylbutanoic acid

In transition metal-mediated carboxylation reactions, CO2 inserts into a metal-nucleophile bond. At the carboxylation transition state (TS), CO2 may interact with the metal (inner-sphere path) or may insert without being activated by the metal (outersphere path). Currently, there is no consensus as to which path prevails. In order to establish general predictions for the insertion of CO2 into metal-carbon bonds, we computationally analyze a series of experimentally reported Cu, Rh, and Pd complexes. Our focus is on carboxylation of aromatic substrates, including C(sp)(3 )benzyl and C-sp(2) aryl and alkenyl nucleophiles. We observe clear trends, where the nature of the nucleophile determines the preferred path: benzylic C-sp(3), nucleophiles favor outer-sphere and C-sp, systems favor inner-sphere CO2 insertion into the metal-carbon bond. An exception are Cu-benzyl bonds, where inner- and outer-sphere CO2 insertions are found to be competitive, highlighting the need to include both paths in mechanistic studies and in the rationalization of experimental results. For insertion into Pd-C-sp2 bonds, we find that the metal-CO2 interactions at the TS are weak and may be beyond 3 angstrom for sterically congested ligands. Nonetheless, on the basis of a comparison to other TSs, we argue that the CO2 insertion into Pd-C(sp2 )bonds should be classified as inner-sphere.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics