Day: January 7, 2022

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

Authors Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C in ELSEVIER 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. Quality Control of 2-Phenylbutanoic acid. 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.

About 2-Phenylbutanoic acid, 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 concate me.. Quality Control of 2-Phenylbutanoic acid

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

An article Cu-catalyzed oxygenation of alkene-tethered amides with O(2)via unactivated C & xe001;C bond cleavage: a direct approach to cyclic imides WOS:000489761300020 published article about MOLECULAR-OXYGEN; OXIDATIVE CLEAVAGE; 3-COMPONENT CARBOAZIDATION; ASYMMETRIC-SYNTHESIS; EFFICIENT SYNTHESIS; AEROBIC CLEAVAGE; METAL-FREE; C=C BONDS; CYCLIZATION; WATER in [Li, Junhua; Wei, Jialiang; Zhu, Bencong; Jiao, Ning] Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Xue Yuan Rd 38, Beijing 100191, Peoples R China; [Wang, Teng] Beihang Univ, Sch Chem, Xue Yuan Rd 38, Beijing 100191, Peoples R China; [Jiao, Ning] Chinese Acad Sci, State Key Lab Organometall Chem, Shanghai 200032, Peoples R China in 2019, Cited 105. COA of Formula: C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

The transformations of unactivated alkenes through C & xe001;C bond double cleavage are always attractive but very challenging. We report herein a chemoselective approach to valuable cyclic imides by a novel Cu-catalyzed geminal amino-oxygenation of unactivated C & xe001;C bonds. O-2 was successfully employed as the oxidant as well as the O-source and was incorporated into alkenyl amides via C & xe001;C bond cleavage for the efficient preparation of succinimide or glutarimide derivatives. Moreover, the present strategy under simple conditions can be used in the late-stage modification of biologically active compounds and the synthesis of pharmaceuticals, which demonstrated the potential application.

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

Product Details of 90-27-7. Mikolasch, A; Berzhanova, R; Omirbekova, A; Reinhard, A; Zuhlke, D; Meister, M; Mukasheva, T; Riedel, K; Urich, T; Schauer, F in [Mikolasch, Annett; Reinhard, Anne; Zuehlke, Daniele; Riedel, Katharina; Urich, Tim; Schauer, Frieder] Ernst Moritz Arndt Univ Greifswald, Inst Microbiol, Felix Hausdorff Str 8, D-17489 Greifswald, Germany; [Berzhanova, Ramza; Omirbekova, Anel; Mukasheva, Togzhan] Al Farabi Kazakh Natl Univ, Dept Biol & Biotechnol, Al Farabi Ave 71, Alma Ata 050040, Kazakhstan; [Meister, Mareike] Leibniz Inst Plasma Sci & Technol INP, Felix Hausdorff Str 2, D-17489 Greifswald, Germany published Moniliella spathulata, an oil-degrading yeast, which promotes growth of barley in oil-polluted soil in 2021, Cited 60. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

The yeast strain Moniliella spathulata SBUG-Y 2180 was isolated from oil-contaminated soil at the Tengiz oil field in the Atyrau region of Kazakhstan on the basis of its unique ability to use crude oil and its components as the sole carbon and energy source. This yeast used a large number of hydrocarbons as substrates (more than 150), including n-alkanes with chain lengths ranging from C-10 to C-32, monomethyl- and monoethyl-substituted alkanes (C-9-C-23), and n-alkylcyclo alkanes with alkyl chain lengths from 3 to 24 carbon atoms as well as substituted monoaromatic and diaromatic hydrocarbons. Metabolism of this huge range of hydrocarbon substrates produced a very large number of aliphatic, alicyclic, and aromatic acids. Fifty-one of these were identified by GC/MS analyses. This is the first report of the degradation and formation of such a large number of compounds by a yeast. Inoculation of barley seeds with M. spathulata SBUG-Y 2180 had a positive effect on shoot and root development of plants grown in oil-contaminated sand, pointing toward potential applications of the yeast in bioremediation of polluted soils.

Welcome to talk about 90-27-7, If you have any questions, you can contact Mikolasch, A; Berzhanova, R; Omirbekova, A; Reinhard, A; Zuhlke, D; Meister, M; Mukasheva, T; Riedel, K; Urich, T; Schauer, F or send Email.. Product Details of 90-27-7

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

An article Performance of UV/acetylacetone process for saline dye wastewater treatment: Kinetics and mechanism WOS:000613417900001 published article about THERMALLY-ACTIVATED PERSULFATE; ACID ORANGE 7; CRYSTAL VIOLET; AQUEOUS-SOLUTION; AZO-DYE; PHOTOCATALYTIC DEGRADATION; PHOTOCHEMICAL PROCESSES; OXIDATIVE REMOVAL; ORGANIC-MATTER; SINGLET OXYGEN in [Yang, Fei; Sheng, Bo; Wang, Zhaohui; Xue, Ying; Liu, Jianshe] Donghua Univ, State Environm Protect Engn Ctr Pollut Treatment, Coll Environm Sci & Engn, Shanghai 201620, Peoples R China; [Yang, Fei; Xue, Ying; Ma, Tianyi] Univ Newcastle, Sch Environm & Life Sci, Callaghan, NSW 2308, Australia; [Wang, Zhaohui] East China Normal Univ, Shanghai Key Lab Urban Ecol Proc & Ecorestorat, Sch Ecol & Environm Sci, Shanghai 200241, Peoples R China; [Wang, Zhaohui] Minist Nat Resources, Technol Innovat Ctr Land Spatial Ecorestorat Metr, 3663 N Zhongshan Rd, Shanghai 200062, Peoples R China; [Wang, Zhaohui; Zhou, Yanbo] Shanghai Engn Res Ctr Biotransformat Organ Solid, Shanghai 200241, Peoples R China; [Liu, Jianshe] Shanghai Inst Pollut Control & Ecol Secur, Shanghai 200092, Peoples R China; [Bush, Richard] Monash Univ, Sustainable Dev Inst, Clayton, Vic 3800, Australia; [Kusic, Hrvoje] Univ Zagreb, Fac Chem Engn & Technol, Zagreb 10000, Croatia; [Zhou, Yanbo] East China Univ Sci & Technol, State Environm Protect Key Lab Environm Risk Asse, Shanghai 200237, Peoples R China in 2021, Cited 68. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Product Details of 90-27-7

Futility of traditional advanced oxidation processes (AOPs) in saline wastewater treatment has stimulated the quest for novel halotolerant chemical oxidation technology. Acetylacetone (AA) has proven to be a potent photo-activator in the degradation of dyes, but the applicability of UV/AA for saline wastewater treatment needs to be verified. In this study, degradation of crystal violet (CV) was investigated in the UV/AA system in the presence of various concentrations of exogenic Cl- or Br-. The results reveal that degradation, mineralization and even accumulation of adsorbable organic halides (AOX) were not significantly affected by the addition of Cl- or Br-. Rates of CV degradation were enhanced by elevating either AA dosage or solution acidity. An apparent kinetic rate equation was developed as r = -d[CV]/dt = k[CV](a)[AA](b) = (7.34 x 10(-4) mM(1-(a+b)) min(-1)) x [CV](a=0.16) [AA](b=0.97). In terms of results of radical quenching experiments, direct electron/energy transfer is considered as the major reaction mechanism, while either singlet oxygen or triplet state ((3)(AA)*) might be involved. Based on identification of degradation byproducts, a possible degradation pathway of CV in the UV/AA system is proposed.

Welcome to talk about 90-27-7, If you have any questions, you can contact Yang, F; Sheng, B; Wang, ZH; Xue, Y; Liu, JS; Ma, TY; Bush, R; Kusic, H; Zhou, YB or send Email.. Product Details of 90-27-7

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. Recommanded Product: 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.

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.. Recommanded Product: 90-27-7

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

Category: Benzisoxazole. I found the field of Pharmacology & Pharmacy; Chemistry very interesting. Saw the article Novel compounds that reverse the disease phenotype in Type 2 Gaucher disease patient-derived cells published in 2020, Reprint Addresses Childers, W; Jacobson, MA (corresponding author), Temple Univ, Moulder Ctr Drug Discovery Res, Dept Pharmaceut Sci, Sch Pharm, 3307 N Broad St, Philadelphia, PA 19140 USA.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 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.

Category: Benzisoxazole. 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