Category: Benzisoxazole

An article Photoinduced Copper-Catalyzed Asymmetric Decarboxylative Alkynylation with Terminal Alkynes WOS:000561037300001 published article about ALIPHATIC CARBOXYLIC-ACIDS; CROSS-COUPLING REACTIONS; REDOX-ACTIVE ESTERS; REGIOSELECTIVE SYNTHESIS; PHOTOREDOX; LIGHT; ARYLATION; STRATEGY; HALIDES in [Xia, Hai-Dong; Dong, Xiao-Yang; Fang, Jia-Heng; Du, Xuan-Yi; Wang, Li-Lei; Liu, Xin-Yuan] Southern Univ Sci & Technol, Shenzhen Grubbs Inst, Shenzhen 518055, Peoples R China; [Xia, Hai-Dong; Dong, Xiao-Yang; Fang, Jia-Heng; Du, Xuan-Yi; Wang, Li-Lei; Liu, Xin-Yuan] Southern Univ Sci & Technol, Dept Chem, Guangdong Prov Key Lab Catalysis, Shenzhen 518055, Peoples R China; [Li, Zhong-Liang; Gu, Qiang-Shuai] Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Shenzhen 518055, Peoples R China; [Li, Zhong-Liang; Gu, Qiang-Shuai] Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China in 2020, Cited 88. Category: Benzisoxazole. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

We describe a photoinduced copper-catalyzed asymmetric radical decarboxylative alkynylation of bench-stable N-hydroxyphthalimide(NHP)-type esters of racemic alkyl carboxylic acids with terminal alkynes, which provides a flexible platform for the construction of chiral C(sp(3))-C(sp) bonds. Critical to the success of this process are not only the use of the copper catalyst as a dual photo- and cross-coupling catalyst but also tuning of the NHP-type esters to inhibit the facile homodimerization of the alkyl radical and terminal alkyne, respectively. Owing to the use of stable and easily available NHP-type esters, the reaction features a broader substrate scope compared with reactions using the alkyl halide counterparts, covering (hetero)benzyl-, allyl-, and aminocarbonyl-substituted carboxylic acid derivatives, and (hetero)aryl and alkyl as well as silyl alkynes, thus providing a vital complementary approach to the previously reported method.

Category: Benzisoxazole. Welcome to talk about 90-27-7, If you have any questions, you can contact Xia, HD; Li, ZL; Gu, QS; Dong, XY; Fang, JH; Du, XY; Wang, LL; Liu, XY or send Email.

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

An article Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach WOS:000514749200033 published article about CHIRAL RECOGNITION MECHANISM; BETA-AMINO ACIDS; LIQUID-CHROMATOGRAPHY; CAPILLARY ELECTROCHROMATOGRAPHY; PERFORMANCE; SEPARATIONS; INSIGHTS; POLYSACCHARIDE; ENANTIOMER; QUININE 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 in 2020, Cited 43. Recommanded Product: 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.

Recommanded Product: 90-27-7. Welcome to talk about 90-27-7, If you have any questions, you can contact Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C or send Email.

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

Computed Properties of C10H12O2. He, SQ; Chen, XL; Zeng, FL; Lu, PP; Peng, YY; Qu, LB; Yu, B 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 published Visible-light-promoted oxidative decarboxylation of arylacetic acids in air: Metal-free synthesis of aldehydes and ketones at room temperature in 2020, Cited 66. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 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.

Computed Properties of C10H12O2. 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.

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

In 2019 ACS CATAL published article about REDOX-ACTIVE ESTERS; PHOTOCHEMICAL GENERATION; O-ACYLOXIMES; PHOTOREDOX; CATALYSIS; N-(ACYLOXY)PHTHALIMIDES; SECONDARY; AMINATION; MECHANISM; OXIMES in [Soni, Vineet Kumar; Kang, Jihee; Hwang, Ho Seong; Cho, Eun Jin] Chung Ang Univ, Dept Chem, 84 Heukseok Ro, Seoul 06974, South Korea; [Lee, Sumin; Moon, Yu Kyung; You, Youngmin] Ewha Womans Univ, Div Chem Engn & Mat Sci, Seoul 03760, South Korea in 2019, Cited 82. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. HPLC of Formula: C10H12O2

Reductive N-O bond cleavage has been widely explored for providing either N or O radical species for various coupling processes. Despite significant advances, this photoredox pathway is less appealing due to poor atom economy owing to the loss of one fragment during the transformation. In this regard, the homolytic N-O bond cleavage by an energy-transfer pathway to provide two key radicals would be highly desirable for overcoming the limitations of the use of one fragment. We report an exclusive energy-transfer approach for the development of a challenging radical-radical C(sp(3))-N cross-coupling process by reactivity-tuning of the catalytic system. The homolytic N-O bond cleavage of oxime esters in the presence of an Ir complex produces acyloxy and iminyl radicals, which undergo decarboxylative cross-coupling to yield valuable imines (typically 0.25 mol % cat. and 1 h reaction time). Extensive photophysical and electrochemical measurements, as well as density functional theory studies, were carried out to probe the mechanism and the operation of a Dexter-type energy-transfer pathway was revealed. The choice of solvent (EtOAc) and reaction concentration were critical for achieving the selectivity and reactivity in this cross-coupling process. The synthetic utility of this method was explored by studying highly functionalized oxime esters, including derivatives of biologically active natural products and drug molecules. Furthermore, in situ transformations of the imine products into pharmaceutically important amines were also demonstrated, showcasing the utility of the imine products as valuable amine building blocks.

HPLC of Formula: C10H12O2. Welcome to talk about 90-27-7, If you have any questions, you can contact Soni, VK; Lee, S; Kang, J; Moon, YK; Hwang, HS; You, Y; Cho, EJ or send Email.

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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

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.

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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.

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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.

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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

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