Day: October 25, 2021

An article Deracemizing alpha-Branched Carboxylic Acids by Catalytic Asymmetric Protonation of Bis-Silyl Ketene Acetals with Water or Methanol WOS:000475080500001 published article about PRACTICAL CHIRAL AUXILIARY; ENANTIOSELECTIVE PROTONATION; BRONSTED ACID; DISILYL ACETALS; ENOL ETHERS; ALKYLATION; PSEUDOEPHEDRINE; GENERATION; ALDEHYDES in [Mandrelli, Francesca; Blond, Aurelie; James, Thomas; Kim, Hyejin; List, Benjamin] Max Planck Inst Kohlenforsch, Kaiser Wilhelm Pl 1, D-45470 Mulheim, Germany in 2019, Cited 52. Formula: C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

We report a highly enantioselective catalytic protonation of bis-silyl ketene acetals. Our method delivers alpha-branched carboxylic acids, including nonsteroidal anti-inflammatory arylpropionic acids such as Ibuprofen, in high enantiomeric purity and high yields. The process can be incorporated in an overall deracemization of alpha-branched carboxylic acids, involving a double deprotonation and silylation followed by the catalytic asymmetric protonation.

Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Mandrelli, F; Blond, A; James, T; Kim, H; List, B or send Email.

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

Authors Bag, S; Petzold, M; Sur, A; Bhowmick, S; Werz, DB; Maiti, D in WILEY-V C H VERLAG GMBH published article about BOND FUNCTIONALIZATIONS; H/D EXCHANGE; DEUTERIUM; DRUG; OLEFINATION; METABOLISM; ACTIVATION; TRITIATION; COMPLEXES; DISCOVERY in [Bag, Sukdev; Sur, Aishanee; Bhowmick, Suman; Maiti, Debabrata] Indian Inst Technol, Dept Chem, Mumbai 400076, Maharashtra, India; [Petzold, Martin; Werz, Daniel B.] Tech Univ Carolo Wilhelmina Braunschweig, Inst Organ Chem, Hagenring 30, D-38106 Braunschweig, Germany in 2019, Cited 53. COA of Formula: C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Deuterium-labeled compounds find wide applications in kinetic studies, and within the pharmaceutical industry. An easily removable pyrimidine-based auxiliary has been employed for the meta-C-H deuteration of arenes. The scope of this Pd-catalyzed deuteration using commercially available [D-1]- and [D-4]-acetic acid has been demonstrated by its application in phenylacetic acid and phenylmethanesulfonate derivatives. A detailed mechanistic study led us to explore the reversibility of the non-rate determining C-H activation step. The present study of meta-deuterium incorporation illustrates the template morphology in terms of selectivity. The applicability of this method has been demonstrated by the selective deuterium incorporation into various pharmaceuticals.

COA of Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Bag, S; Petzold, M; Sur, A; Bhowmick, S; Werz, DB; Maiti, D or send Email.

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

Authors Morisawa, T; Sawamura, M; Shimizu, Y in AMER CHEMICAL SOC published article about ELECTROPHILIC AMINATION; ASYMMETRIC-SYNTHESIS; ENANTIOSELECTIVE AMINATION; DERIVATIVES; ACETALS; ESTERS; CYANOACETATES; CONSTRUCTION; COMPLEXES; STRATEGY in [Sawamura, Masaya; Shimizu, Yohei] Hokkaido Univ, Inst Chem React Design & Discovery WPI ICReDD, Kita Ku, Kita 21 Nishi 10, Sapporo, Hokkaido 0010021, Japan; [Morisawa, Takuto; Sawamura, Masaya; Shimizu, Yohei] Hokkaido Univ, Fac Sci, Dept Chem, Kita Ku, Kita 10 Nishi 8, Sapporo, Hokkaido 0600810, Japan in 2019, Cited 45. Category: Benzisoxazole. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

A boron-catalyzed alpha-amination of simple carboxylic acids was developed. Catalytically generated boron enolates of carboxylic acids reacted with an electrophilic aminating reagent, diisopropylazodicarboxylate, to provide amino acid derivatives. The catalysis afforded not only alpha-monosubstituted glycine derivatives but also alpha,alpha-disubstituted derivatives. The resulting alpha-aminocarboxylic acid was easily converted to carboxylic acid derivatives. Extension to a catalytic asymmetric variant was possible by introducing a chiral ligand on the boron catalyst.

Category: Benzisoxazole. Welcome to talk about 90-27-7, If you have any questions, you can contact Morisawa, T; Sawamura, M; Shimizu, Y or send Email.

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

Name: 2-Phenylbutanoic acid. Pickl, M; Kurakin, S; Reinhard, FGC; Schmid, P; Pocheim, A; Winkler, CK; Kroutil, W; de Visser, SP; Faber, K 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 published Mechanistic Studies of Fatty Acid Activation by CYP152 Peroxygenases Reveal Unexpected Desaturase Activity 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.

Name: 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Pickl, M; Kurakin, S; Reinhard, FGC; Schmid, P; Pocheim, A; Winkler, CK; Kroutil, W; de Visser, SP; Faber, K or send Email.

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

Formula: C10H12O2. In 2019 J AM CHEM SOC published article about CARBON-DIOXIDE; VISIBLE-LIGHT; CATALYZED CARBOXYLATION; REDUCTION POTENTIALS; ALKENES; CO2; CARBONYLATION; RADICALS; HALIDES; SYSTEM in [Meng, Qing-Yuan; Schirmer, Tobias E.; Berger, Anna Lucia; Donabauer, Karsten; Koenig, Burkhard] Univ Regensburg, Inst Organ Chem, Fac Chem & Pharm, D-93040 Regensburg, Germany in 2019, Cited 58. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

The carboxylation of sp(3)-hybridized C-H bonds with CO2 is a challenging transformation. Herein, we report a visible-light-mediated carboxylation of benzylic C-H bonds with CO2 into 2-arylpropionic acids under metal-free conditions. Photo-oxidized triisopropylsilanethiol was used as the hydrogen atom transfer catalyst to afford a benzylic radical that accepts an electron from the reduced form of 2,3,4,6-tetra(9H-carbazol-9-yl)-5-(1-phenylethyl)benzonitrile generated in situ. The resulting benzylic carbanion reacts with CO2 to generate the corresponding carboxylic acid after protonation. The reaction proceeded without the addition of any sacrificial electron donor, electron acceptor or stoichiometric additives. Moderate to good yields of the desired products were obtained in a broad substrate scope. Several drugs were successfully synthesized using the novel strategy.

Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Meng, QY; Schirmer, TE; Berger, AL; Donabauer, K; Konig, B or send Email.

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

Authors Garcia-Lopez, D; Pavlovic, L; Hopmann, KH in AMER CHEMICAL SOC 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. Recommanded Product: 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

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.

Recommanded Product: 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Garcia-Lopez, D; Pavlovic, L; Hopmann, KH or send Email.

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

In 2020 BIOORG MED CHEM LETT published article about GLUCOSYLCERAMIDE SYNTHASE; TAMOXIFEN; SUBSTRATE in [Childers, Wayne; Fan, Rong; Martinez, Rogelio; Colussi, Dennis J.; Melenski, Edward; Liu, Yuxiao; Gordon, John; Abou-Gharbia, Magid; Jacobson, Marlene A.] Temple Univ, Moulder Ctr Drug Discovery Res, Dept Pharmaceut Sci, Sch Pharm, 3307 N Broad St, Philadelphia, PA 19140 USA in 2020, Cited 23. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 2-Phenylbutanoic acid

Gaucher disease (GD) results from inherited mutations in the lysosomal enzyme beta-glucocerobrosidase (GCase). Currently available treatment options for Type 1 GD are not efficacious for treating neuronopathic Type 2 and 3 GD due to their inability to cross the blood-brain barrier. In an effort to identify small molecules which could be optimized for CNS penetration we identified tamoxifen from a high throughput phenotypic screen on Type 2 GD patient-derived fibroblasts which reversed the disease phenotype. Structure activity studies around this scaffold led to novel molecules that displayed improved potency, efficacy and reduced estrogenic/antiestrogenic activity compared to the original hits. Here we present the design, synthesis and structure activity relationships that led to the lead molecule Compound 31.

Recommanded Product: 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Childers, W; Fan, R; Martinez, R; Colussi, DJ; Melenski, E; Liu, YX; Gordon, J; Abou-Gharbia, M; Jacobson, MA or send Email.

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

Authors Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR in AMER CHEMICAL SOC published article about ELECTROINITIATED POLYMERIZATION; CARBON-DIOXIDE; VISIBLE-LIGHT; ELECTROCHEMICAL DICARBOXYLATION; STYRENE; CO2; ALKENES; ELECTROCARBOXYLATION; CARBOXYLATION; KINETICS in [Alkayal, Anas; Tabas, Volodymyr; Montanaro, Stephanie; Wright, Iain A.; Malkov, Andrei V.; Buckley, Benjamin R.] Loughborough Univ, Sch Sci, Dept Chem, Loughborough LE11 3TU, Leics, England in 2020, Cited 31. Recommanded Product: 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

The construction of carboxylic acid compounds in a selective fashion from low value materials such as alkenes remains a long-standing challenge to synthetic chemists. In particular, beta-addition to styrenes is underdeveloped. Herein we report a new electrosynthetic approach to the selective hydrocarboxylation of alkenes that overcomes the limitations of current transition metal and photochemical approaches. The reported method allows unprecedented direct access to carboxylic acids derived from beta,beta-trisubstituted alkenes, in a highly regioselective manner.

Recommanded Product: 90-27-7. Welcome to talk about 90-27-7, If you have any questions, you can contact Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR or send Email.

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

An article Modeling and optimization of lipase-catalyzed hydrolysis for production of (S)-2-phenylbutyric acid enhanced by hydroxyethyl-beta-cyclodextrin WOS:000474502600011 published article about CANDIDA-ANTARCTICA LIPASE; ENANTIOSELECTIVE HYDROLYSIS; ETHYL-ESTER; ENZYME-ACTIVITY; REACTION SYSTEM; RESOLUTION; IMMOBILIZATION; ESTERIFICATION; SEPARATION; INDOBUFEN in [Zhang, Panliang; Cheng, Qing; Xu, Weifeng; Tang, Kewen] Hunan Inst Sci & Technol, Dept Chem & Chem Engn, Yueyang 414000, Hunan, Peoples R China in 2019, Cited 44. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Safety of 2-Phenylbutanoic acid

An efficient reactive system was established to produce (S)-2-phenylbutyric acid (2-PBA) through the enzymatic enantioselective hydrolysis of 2-phenylbutyrate ester (2-PBAE) in aqueous medium. Lipase CALA from Canadian antarctica and hexyl 2-phenylbutyrate (2-PBAHE) were identified upon screening as the best enzyme and substrate, respectively. Adding hydroxyethyl-beta-cyclodextrin (HE-beta-CD) to improve the solubility of the substrate resulted in a 1.5 times increase in substrate conversion while retaining a high enantioselectivity compared with that when HE-beta-CD was not added. The effects of lipase concentration, substrate concentration and HE-beta-CD concentration, temperature, pH, and reaction time on enantiomeric excess and conversion rate were investigated, and the optimal conditions were identified using response surface methodology (RSM). Under the optimal conditions, namely 50 mg/mL lipase CALA, 30 mmol/L substrate, 60 mmol/L HE-beta-CD, pH of 6.5, temperature of 83 degrees C and reaction time of 18 h, the enantiomeric excess and overall conversion rate were 96.05% and 27.28%, respectively. This work provides an efficient alternative method for improving the conversion of aromatic ester substrates by including beta-cyclodextrin in an aqueous hydrolysis reaction system.

Safety of 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Zhang, PL; Cheng, Q; Xu, WF; Tang, KW or send Email.

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

An article Visible-light-promoted oxidative decarboxylation of arylacetic acids in air: Metal-free synthesis of aldehydes and ketones at room temperature WOS:000548928800028 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. SDS of cas: 90-27-7

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.

SDS of cas: 90-27-7. Welcome to talk about 90-27-7, If you have any questions, you can contact He, SQ; Chen, XL; Zeng, FL; Lu, PP; Peng, YY; Qu, LB; Yu, B or send Email.

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