Day: October 15, 2021

SDS of cas: 90-27-7. I found the field of Chemistry very interesting. Saw the article Lewis Acid-Catalyzed Selective Reductive Decarboxylative Pyridylation of N-Hydroxyphthalimide Esters: Synthesis of Congested Pyridine-Substituted Quaternary Carbons published in 2019, Reprint Addresses Li, SH (corresponding author), Nanjing Univ, Sch Chem & Chem Engn, Inst Theoret & Computat Chem, Minist Educ,Key Lab Mesoscop Chem, Nanjing 210093, Jiangsu, Peoples R China.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid.

A practical and efficient Lewis acid-catalyzed radical-radical coupling reaction of N-hydroxyphthalimide esters and 4-cyanopyridines with inexpensive bis(pinacolato)-diboron as reductant has been developed. With ZnCl2 as the catalyst, a wide range of quaternary 4-substituted pyridines, including highly congested diarylmethyl and triarylmethyl substituents, could be selectively obtained in moderate to good yields with broad functional group tolerance. Combined theoretical calculations and experimental studies indicate that the Lewis acid could coordinate with the cyano group of the pyridine-boryl radical to lower the activation barrier of the C-C coupling pathway, leading to the formation of 4-substituted pyridines. Moreover, it could also facilitate the decyanation/aromatization of the radical-radical coupling intermediate.

SDS of cas: 90-27-7. About 2-Phenylbutanoic acid, If you have any questions, you can contact Gao, LZ; Wang, GQ; Cao, J; Chen, H; Gu, YM; Liu, XT; Cheng, X; Ma, J; Li, SH or concate me.

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

An article Lewis Acid-Catalyzed Selective Reductive Decarboxylative Pyridylation of N-Hydroxyphthalimide Esters: Synthesis of Congested Pyridine-Substituted Quaternary Carbons WOS:000494549700040 published article about C-H FUNCTIONALIZATION; DIRECT ALKYLATION; RADICAL PRECURSORS; CARBOXYLIC-ACIDS; DIRECT ARYLATION; AMINO-ACIDS; HETEROARENES; BOND; ALCOHOLS; ALKENES in [Gao, Liuzhou; Wang, Guoqiang; Cao, Jia; Chen, Hui; Gu, Yuming; Liu, Xueting; Cheng, Xu; Ma, Jing; Li, Shuhua] Nanjing Univ, Sch Chem & Chem Engn, Inst Theoret & Computat Chem, Minist Educ,Key Lab Mesoscop Chem, Nanjing 210093, Jiangsu, Peoples R China; [Cheng, Xu] Nanjing Univ, Sch Chem & Chem Engn, Inst Chem & Biomed Sci, Nanjing 210093, Jiangsu, Peoples R China in 2019, Cited 123. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Computed Properties of C10H12O2

A practical and efficient Lewis acid-catalyzed radical-radical coupling reaction of N-hydroxyphthalimide esters and 4-cyanopyridines with inexpensive bis(pinacolato)-diboron as reductant has been developed. With ZnCl2 as the catalyst, a wide range of quaternary 4-substituted pyridines, including highly congested diarylmethyl and triarylmethyl substituents, could be selectively obtained in moderate to good yields with broad functional group tolerance. Combined theoretical calculations and experimental studies indicate that the Lewis acid could coordinate with the cyano group of the pyridine-boryl radical to lower the activation barrier of the C-C coupling pathway, leading to the formation of 4-substituted pyridines. Moreover, it could also facilitate the decyanation/aromatization of the radical-radical coupling intermediate.

Computed Properties of C10H12O2. About 2-Phenylbutanoic acid, If you have any questions, you can contact Gao, LZ; Wang, GQ; Cao, J; Chen, H; Gu, YM; Liu, XT; Cheng, X; Ma, J; Li, SH or concate me.

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

Authors Xia, HD; Li, ZL; Gu, QS; Dong, XY; Fang, JH; Du, XY; Wang, LL; Liu, XY in WILEY-V C H VERLAG GMBH 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. Recommanded Product: 90-27-7. 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.

Recommanded Product: 90-27-7. About 2-Phenylbutanoic acid, 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 concate me.

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

Application In Synthesis of 2-Phenylbutanoic acid. I found the field of Chemistry very interesting. Saw the article Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies published in 2019, Reprint Addresses Muthu, S (corresponding author), Arignar Anna Govt Arts Coll, Dept Phys, Cheyyar 604407, Tamil Nadu, India.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid.

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.

Application In Synthesis of 2-Phenylbutanoic acid. About 2-Phenylbutanoic acid, If you have any questions, you can contact Raajaraman, BR; Sheela, NR; Muthu, S or concate me.

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

In 2021 J ORG CHEM published article about INTRAMOLECULAR AMINOHYDROXYLATION; STEREOSELECTIVE-SYNTHESIS; ASYMMETRIC DIAMINATION; IODINE(III) REAGENTS; OXIDATIVE AMINATION; C-O; HYPERVALENT; DIFLUORINATION; DIFUNCTIONALIZATION; FLUORINATION in [Deng, Xiao-Jun; Liu, Hui-Xia; Zhang, Lu-Wen; He, Wei] Fourth Mil Med Univ, Sch Pharm, Dept Chem, Xian 710032, Peoples R China; [Zhang, Guan-Yu; Yu, Zhi-Xiang] Peking Univ, Coll Chem, Beijing Natl Lab Mol Sci BNLMS, Key Lab Bioorgan Chem & Mol Engn,Minist Educ, Beijing 100871, Peoples R China in 2021, Cited 125. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Name: 2-Phenylbutanoic acid

Reported here is the room-temperature metal-free iodoarene-catalyzed oxyamination of unactivated alkenes. In this process, the alkenes are difunctionalized by the oxygen atom of the amide group and the nitrogen in an exogenous HNTs2 molecule. This mild and open-air reaction provided an efficient synthesis to N-bistosyl-substituted 5-imino-2-tetrahydrofuranyl methanamine derivatives, which are important motifs in drug development and biological studies. Mechanistic study based on experiments and density functional theory calculations showed that this transformation proceeds via activation of the substrate alkene by an in situ generated cationic iodonium(III) intermediate, which is subsequently attacked by an oxygen atom (instead of nitrogen) of amides to form a five-membered ring intermediate. Finally, this intermediate undergoes an S(N)2 reaction by NTs2 as the nucleophile to give the oxygen and nitrogen difunctionalized 5-imino-2-tetrahydrofuranyl methanamine product. An asymmetric variant of the present alkene oxyamination using chiral iodoarenes as catalysts also gave promising results for some of the substrates.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Deng, XJ; Liu, HX; Zhang, LW; Zhang, GY; Yu, ZX; He, W or concate me.. Name: 2-Phenylbutanoic acid

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

In 2020 INORG CHIM ACTA published article about SP(3) C-H; CARBOXYLIC-ACIDS; COUPLING CDC; ESTERIFICATION; BOND; ACTIVATION; ALDEHYDES; C(SP(3))-H; COMPLEXES; ALKYLBENZENES in [Mondal, Rakesh; Chakraborty, Gargi; Paul, Nanda D.] Indian Inst Engn Sci & Technol, Dept Chem, Bot Garden, Howrah 711103, India; [van Vliet, Kaj M.; van Leest, Nicolaas P.; de Bruin, Bas] Univ Amsterdam, vant Hoff Inst Mol Sci, Homogeneous Catalysis Grp, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands in 2020, Cited 60. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Category: Benzisoxazole

Herein, we report a general, efficient and solvent-free method for the one-pot synthesis of allylic esters via dehydrogenation of unactivated alkanes and subsequent oxidative cross coupling with different substituted carboxylic acids. A simple, well defined and air stable Cu(II)-complex, [Cu(MeTAA)], featuring a tetraazamacrocyclic ligand (tetramethyltetraaza[14]annulene (MeTAA)) is used as the catalyst. A wide variety substituted allylic esters were synthesized in high yields starting from readily available starting materials. Control reactions were carried out to understand the reaction sequence and the plausible mechanism.

Category: Benzisoxazole. About 2-Phenylbutanoic acid, If you have any questions, you can contact Mondal, R; Chakraborty, G; van Vliet, KM; van Leest, NP; de Bruin, B; Paul, ND or concate me.

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

I found the field of Chemistry very interesting. Saw the article Mechanistic Studies of Fatty Acid Activation by CYP152 Peroxygenases Reveal Unexpected Desaturase Activity published in 2019. Recommanded Product: 2-Phenylbutanoic acid, Reprint Addresses Kroutil, W; Faber, K (corresponding author), Graz Univ, Dept Chem Organ & Bioorgan Chem, Heinrichstr 28, A-8010 Graz, Austria.; de Visser, SP (corresponding author), Univ Manchester, Manchester Inst Biotechnol, 131 Princess St, Manchester M1 7DN, Lancs, England.; de Visser, SP (corresponding author), Univ Manchester, Sch Chem Engn & Analyt Sci, 131 Princess St, Manchester M1 7DN, Lancs, England.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

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.

About 2-Phenylbutanoic acid, 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 concate me.. Recommanded Product: 2-Phenylbutanoic acid

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

An article Mechanistic Insights into Copper-Catalyzed Carboxylations WOS:000535187200010 published article about DENSITY-FUNCTIONAL THEORY; CO2 INSERTION; CARBON; ALKENES; DFT; HYDROCARBOXYLATION; THERMOCHEMISTRY 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 in 2020, Cited 38. Name: 2-Phenylbutanoic acid. 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.

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

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

Authors Mandrelli, F; Blond, A; James, T; Kim, H; List, B in WILEY-V C H VERLAG GMBH 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. Application In Synthesis of 2-Phenylbutanoic acid. 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.

Application In Synthesis of 2-Phenylbutanoic acid. About 2-Phenylbutanoic acid, If you have any questions, you can contact Mandrelli, F; Blond, A; James, T; Kim, H; List, B or concate me.

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

I found the field of Environmental Sciences & Ecology very interesting. Saw the article Shape-dependent toxicity of alumina nanoparticles in rat astrocytes published in 2019. Safety of 2-Phenylbutanoic acid, Reprint Addresses Tang, S; Bai, XT (corresponding author), 7 Panjiayuan Nanli, Beijing 100021, Peoples R China.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

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.

Safety of 2-Phenylbutanoic acid. About 2-Phenylbutanoic acid, 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 concate me.

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