Heterocyclic Building Blocks-Benzisoxazole

In 2020 ANGEW CHEM INT EDIT 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. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Quality Control of 2-Phenylbutanoic acid

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.

Quality Control 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

Recently I am researching about CANDIDA-ANTARCTICA LIPASE; ENANTIOSELECTIVE HYDROLYSIS; ETHYL-ESTER; ENZYME-ACTIVITY; REACTION SYSTEM; RESOLUTION; IMMOBILIZATION; ESTERIFICATION; SEPARATION; INDOBUFEN, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21676077]. Published in ELSEVIER SCI LTD in OXFORD ,Authors: Zhang, PL; Cheng, Q; Xu, WF; Tang, KW. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Formula: C10H12O2

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.

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.. Formula: C10H12O2

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

An article Shape-dependent toxicity of alumina nanoparticles in rat astrocytes WOS:000482549900017 published article about OXIDATIVE STRESS; OXIDE NANOPARTICLES; TRYPTOPHAN-METABOLISM; SILVER NANOPARTICLES; DIFFERENT SIZES; CYTOTOXICITY; METABOLOMICS; INFLAMMATION; EXPRESSION; NANOMATERIALS in [Dong, Li; Tang, Song; Deng, Fuchang; Zhao, Kangfeng; Fang, Jianlong; Bai, Xuetao; Zhang, Hongwei] Chinese Ctr Dis Control & Prevent, Natl Inst Environm Hlth, Beijing 100021, Peoples R China; [Tang, Song] Nanjing Med Univ, Sch Publ Hlth, Ctr Global Hlth, Nanjing 211166, Jiangsu, Peoples R China; [Deng, Fuchang] Southwest Univ, Coll Biotechnol, Chongqing 400715, Peoples R China; [Gong, Yufeng; Hecker, Markus; Giesy, John P.] Univ Saskatchewan, Toxicol Ctr, Saskatoon, SK S7N 5B3, Canada; [Zhou, Jianjun] Tongji Univ, Sch Med, East Hosp, Res Ctr Translat Med,Canc Stem Cell Inst, Shanghai 310000, Peoples R China; [Liang, Donghai] Emory Univ, Rollins Sch Publ Hlth, Dept Environm Hlth, Atlanta, GA 30322 USA; [Hecker, Markus] Univ Saskatchewan, Sch Environm & Sustainabil, Saskatoon, SK S7N 5B3, Canada; [Giesy, John P.] Univ Saskatchewan, Dept Biomed & Vet Biosci, Saskatoon, SK S7N 5B4, Canada; [Giesy, John P.] Baylor Univ, Dept Environm Sci, Waco, TX 76798 USA in 2019, Cited 64. Safety of 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Nanosized alumina (Al2O3-NPs), a widely used nanoparticle in numerous commercial applications, is released into environment posing a threat to the health of wildlife and humans. Recent research has revealed essential roles of physicochemical properties of nanoparticles in determining their toxicity potencies. However, influence of shape on neurotoxicity induced by heterogeneous Al2O3 -NPs remains unknown. We herein compared the neurotoxicity of two shapes of gamma-Al2O3-NPs (flake versus rod) and their effects on metabolic profiles of astrocytes in rat cerebral cortex. While exposed to both shapes caused significant cytotoxicity and apoptosis in a dose-dependent manner after 72 h exposure, a significantly stronger response was observed for nanorods than for nanoflakes. These effects were associated with significantly greater ROS accumulation and inflammation induction, as indicated by increased concentrations of IL-1 beta, IL-2 and IL-6. Using untargeted metabolomics, significant alternations in metabolism of amino adds, lipids and purines, and pyrimidines were observed after exposure to both types. Moreover, changes in the metabolome caused by nanorods were significantly greater than those by nanoflakes as also indicated by physiological stress responses to ROS, inflammation, and apoptosis. Taken together, these findings demonstrated the critical role of morphology in determining toxic potencies of nanoalumina and its underlying mechanisms of toxic actions. (C) 2019 Elsevier B.V. All rights reserved.

Welcome to talk about 90-27-7, If you have any questions, you can contact Dong, L; Tang, S; Deng, FC; Gong, YF; Zhao, KF; Zhou, JJ; Liang, DH; Fang, JL; Hecker, M; Giesy, JP; Bai, XT; Zhang, HW or send Email.. Safety of 2-Phenylbutanoic acid

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

In 2019 ORG LETT 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. SDS of cas: 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.

SDS of cas: 90-27-7. About 2-Phenylbutanoic acid, If you have any questions, you can contact Wei, D; Buhaibeh, R; Canac, Y; Sortais, JB or concate me.

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

An article Mechanistic Investigation of the Nickel-Catalyzed Carbonylation of Alcohols WOS:000526340300015 published article about AUXILIARY BASIS-SETS; BIMETALLIC OXIDATIVE ADDITION; ATOM-TRANSFER CARBONYLATION; ZETA-VALENCE QUALITY; ARYL HALIDES; ELECTRONIC-STRUCTURE; COMPLEX CATALYST; ALLYL HALIDES; ALKYL IODIDES; LOW-PRESSURE in [Sabater, Sara; Menche, Maximilian; Ghosh, Tamal; Hashmi, A. Stephen K.; Schaub, Thomas] Catalysis Res Lab CaRLa, D-69120 Heidelberg, Germany; [Rueck, Katharina S. L.; Paciello, Rocco; Schaub, Thomas] BASF SE, Organ Synth, D-67056 Ludwigshafen, Germany; [Menche, Maximilian; Schaefer, Ansgar] BASF SE, Quantum Chem, D-67056 Ludwigshafen, Germany; [Krieg, Saskia; Comba, Peter] Heidelberg Univ, Anorgan Chem Inst, D-69120 Heidelberg, Germany; [Hashmi, A. Stephen K.] Heidelberg Univ, Organ Chem Inst, D-69120 Heidelberg, Germany in 2020, Cited 75. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Safety of 2-Phenylbutanoic acid

The carbonylation of alcohols represents a straightforward and atom-efficient methodology for the preparation of carboxylic acids. It is desirable to perform these reactions under precious metal-free and low-pressure conditions, with regioselectivity control. In this work, we present a detailed mechanistic study of a catalytic system based on NiI2, which can carbonylate benzylic alcohols in a highly regioselective manner to the corresponding branched carboxylic acids, core motifs for nonsteroidal drugs. The combination of catalytic amounts of nickel and iodide is crucial for efficient catalytic and regioselective conversion. Quantum-chemical computations were used to evaluate the underlying mechanistic processes. They revealed that a combination of two mechanisms is responsible for the observed reactivity and that the oxidative addition of alkyl halides to the Ni(0) species follows a radical oxidation pathway via two one-electron steps.

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

Recommanded Product: 90-27-7. Recently I am researching about MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; RHODIUM-CATALYZED HYDROCARBOXYLATION; AB-INITIO PSEUDOPOTENTIALS; CARBON-DIOXIDE; BASIS-SETS; CO2 INSERTION; DIRECT CARBOXYLATION; ALKYNES; BORACARBOXYLATION, Saw an article supported by the Research Council of Norway (Centre of Excellence)Research Council of Norway [262695]; Tromso Research Foundation [TFS2016KHH]; NordForsk [85378]; Notur-The Norwegian Metacenter for Computational Science [nn9330k, nn4654k]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Garcia-Lopez, D; Pavlovic, L; Hopmann, KH. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 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.

Recommanded Product: 90-27-7. 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 Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies WOS:000464988000013 published article about FT-RAMAN; MOLECULAR DOCKING; CHEMICAL COMPUTATIONS; HOMO-LUMO; IR; DFT; NMR; UV; SPECTRA; DIMER in [Raajaraman, B. R.; Sheela, N. R.] Sri Venkateswara Coll Engn, Dept Appl Phys, Sriperumbudur 602117, Tamil Nadu, India; [Muthu, S.] Arignar Anna Govt Arts Coll, Dept Phys, Cheyyar 604407, Tamil Nadu, India in 2019, Cited 39. HPLC of Formula: C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

2-Phenylbutanoic acid (2PBA) and its functional derivatives 2-amino-2-Phynylbutanoic acid (2APBA), 2-hydroxy-2-Phenylbutanoic acid (2HPBA) and 2-methyl-2-phenylbutanoic acid (2MPBA) are analyzed by density functional theory (DFT) calculations at B3LYP level with basis set 6-311++G(d,p). Experimental studies like FT-IR, FT-Raman, and UV-Visible spectra are carried out and compared with the theoretical molecular geometry and vibrational frequencies. To study donor and acceptor interactions natural bond orbital (NBO) analysis were performed. The observed UV-Vis spectrum compared with the time-dependent TD-DFT analysis gives band gap energies, oscillator strength, and the absorption wavelengths of different molecules. The hyperpolarizability analysis shows that the nonlinear optical (NLO) properties of the 2PBA, 2APBA, 2HPBA and 2MPBA compounds. The visual bio-active areas of the molecule are estimated by Molecular electrostatic potential (MEP). The important thermodynamic properties like heat capacity, entropy, and enthalpy of the 2PBA, 2APBA, 2HPBA, and 2MPBA were calculated at different temperatures. Molecular docking methods were employed with 2PBA, 2APBA, 2HPBA and 2MPBA molecules with the same set of receptors (proteins) to find the best of four molecules for drug identification. (C) 2019 Elsevier B.V. All rights reserved.

Welcome to talk about 90-27-7, If you have any questions, you can contact Raajaraman, BR; Sheela, NR; Muthu, S or send Email.. HPLC of Formula: C10H12O2

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

In 2021 CHEM-EUR J published article about B(C6F5)(3)-CATALYZED HYDROSILYLATION; CARBONYL; MECHANISM; SILANES in [Roy, Avijit; Oestreich, Martin] Tech Univ Berlin, Inst Chem, Str 17 Juni 115, D-10623 Berlin, Germany in 2021, Cited 29. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. COA of Formula: C10H12O2

Little-explored hydrosilylation of ketenes promoted by main-group catalysts is reported. The boron Lewis acid tris(pentafluorophenyl)borane accelerates the slow uncatalyzed reaction of ketenes and hydrosilanes, thereby providing a convenient access to the new class of beta,beta-di- and beta-monoaryl-substituted aldehyde-derived silyl enol ethers. Yields are moderate to high, and Z configuration is preferred. The corresponding silyl bis-enol ethers are also available when using dihydrosilanes. The related trityl-cation-initiated hydrosilylation involving self-regeneration of silylium ions is far less effective.

COA of Formula: C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Roy, A; Oestreich, M or concate me.

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

In 2020 ORGANOMETALLICS published article about AUXILIARY BASIS-SETS; BIMETALLIC OXIDATIVE ADDITION; ATOM-TRANSFER CARBONYLATION; ZETA-VALENCE QUALITY; ARYL HALIDES; ELECTRONIC-STRUCTURE; COMPLEX CATALYST; ALLYL HALIDES; ALKYL IODIDES; LOW-PRESSURE in [Sabater, Sara; Menche, Maximilian; Ghosh, Tamal; Hashmi, A. Stephen K.; Schaub, Thomas] Catalysis Res Lab CaRLa, D-69120 Heidelberg, Germany; [Rueck, Katharina S. L.; Paciello, Rocco; Schaub, Thomas] BASF SE, Organ Synth, D-67056 Ludwigshafen, Germany; [Menche, Maximilian; Schaefer, Ansgar] BASF SE, Quantum Chem, D-67056 Ludwigshafen, Germany; [Krieg, Saskia; Comba, Peter] Heidelberg Univ, Anorgan Chem Inst, D-69120 Heidelberg, Germany; [Hashmi, A. Stephen K.] Heidelberg Univ, Organ Chem Inst, D-69120 Heidelberg, Germany in 2020, Cited 75. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 2-Phenylbutanoic acid

The carbonylation of alcohols represents a straightforward and atom-efficient methodology for the preparation of carboxylic acids. It is desirable to perform these reactions under precious metal-free and low-pressure conditions, with regioselectivity control. In this work, we present a detailed mechanistic study of a catalytic system based on NiI2, which can carbonylate benzylic alcohols in a highly regioselective manner to the corresponding branched carboxylic acids, core motifs for nonsteroidal drugs. The combination of catalytic amounts of nickel and iodide is crucial for efficient catalytic and regioselective conversion. Quantum-chemical computations were used to evaluate the underlying mechanistic processes. They revealed that a combination of two mechanisms is responsible for the observed reactivity and that the oxidative addition of alkyl halides to the Ni(0) species follows a radical oxidation pathway via two one-electron steps.

Recommanded Product: 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Sabater, S; Menche, M; Ghosh, T; Krieg, S; Ruck, KSL; Paciello, R; Schafer, A; Comba, P; Hashmi, ASK; Schaub, T or send Email.

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

Formula: C10H12O2. Obst, MF; Gevorgyan, A; Bayer, A; Hopmann, KH in [Obst, Marc F.; Hopmann, Kathrin H.] UiT Arctic Univ Norway, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-9037 Tromso, Norway; [Gevorgyan, Ashot; Bayer, Annette] UiT Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway published Mechanistic Insights into Copper-Catalyzed Carboxylations in 2020, Cited 38. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

The copper-NHC-catalyzed carboxylation of organo-boranes with CO2 was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted via an inner-sphere carboxylation of an organocopper intermediate, whereas benzylic substrates may simultaneously proceed along both inner- and outer-sphere CO2 insertion pathways. Interestingly, the computations predict that two conceptually different carboxylation mechanisms are possible for benzylic organoboranes, one being copper-catalyzed and one being mediated by the reaction additive CsF. Our experimental evaluation of the computed reactions confirms that carboxylation of nonbenzylic substrates requires copper catalysis, whereas benzylic substrates can be carboxylated with and without copper.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Obst, MF; Gevorgyan, A; Bayer, A; Hopmann, KH or concate me.. Formula: C10H12O2

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