Heterocyclic Building Blocks-Benzisoxazole

Roy, A; Oestreich, M in [Roy, Avijit; Oestreich, Martin] Tech Univ Berlin, Inst Chem, Str 17 Juni 115, D-10623 Berlin, Germany published Metal-Free Hydrosilylation of Ketenes with Silicon Electrophiles: Access to Fully Substituted Aldehyde-Derived Silyl Enol Ethers in 2021, Cited 29. Computed Properties of C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

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.

Computed Properties of 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

Category: Benzisoxazole. Sabater, S; Menche, M; Ghosh, T; Krieg, S; Ruck, KSL; Paciello, R; Schafer, A; Comba, P; Hashmi, ASK; Schaub, T 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 published Mechanistic Investigation of the Nickel-Catalyzed Carbonylation of Alcohols in 2020, Cited 75. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

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.

Category: Benzisoxazole. About 2-Phenylbutanoic acid, 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 concate me.

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

Category: Benzisoxazole. In 2020 NAT COMMUN published article about REDOX-ACTIVE ESTERS; DESIGN; STRATEGY; ACIDS in [Ye, Zenghui; Chen, Na; Zhang, Hong; Zhu, Kai; Ding, Mingruo; Liu, Min; Li, Yong; Zhang, Fengzhi] Zhejiang Univ Technol, Coll Pharmaceut Sci, Hangzhou 310014, Peoples R China; [Ye, Zenghui; Zhu, Kai; Zhang, Fengzhi] Zhejiang Univ Technol, Collaborat Innovat Ctr Yangtze River Delta Reg Gr, Hangzhou 310014, Peoples R China in 2020, Cited 48. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Triazolopyridinone derivatives are of high value in both medicinal and material chemistry. However, the chiral or hindered triazolopyridinone derivatives remain an underexplored area of chemical space because they are difficult to prepare via conventional methods. Here we report an electrochemical rearrangement for the efficient synthesis of otherwise inaccessible triazolopyridinones with diverse alkyl carboxylic acids as starting materials. This enables the efficient preparation of more than 60 functionalized triazolopyridinones under mild conditions in a sustainable manner. This method is evaluated for the late stage modification of bioactive natural products, amino acids and pharmaceuticals, and it is further applied to the decagram scale preparation of enantiopure triazolopyridinones. The control experiments support a mechanism involving an oxidative cyclization and 1,2-carbon migration. This facile and scalable rearrangement demonstrates the power of electrochemical synthesis to access otherwise-inaccessible triazolopyridinones and may find wide application in organic, material and medicinal chemistry. Chiral and hindered triazolopyridinone derivatives are an underexplored area of chemical space mainly due to their challenging synthesis via classical methods. Here, the authors report an electrochemical rearrangement for the synthesis of triazolopyridinones using diverse, available alkyl carboxylic acids as starting materials.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Ye, ZH; Wu, YQ; Chen, N; Zhang, H; Zhu, K; Ding, MR; Liu, M; Li, Y; Zhang, FZ or concate me.. Category: Benzisoxazole

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

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. Computed Properties of C10H12O2. 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.

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.. Computed Properties of C10H12O2

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

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