Month: December 2021

An article Diverse meta-C-H Functionalization of Amides WOS:000530090800055 published article about LIGAND-ENABLED ORTHO; BOND ACTIVATION; DIRECTING GROUP; ARYLATION; OLEFINATION; BORYLATION; MILD; PD; ALLYLATION; ALKYLATION in [Gholap, Aniket; Bag, Sukdev; Pradhan, Sukumar; Kapdi, Anant R.; Maiti, Debabrata] Inst Chem Technol, Dept Chem, Mumbai 400019, Maharashtra, India in 2020, Cited 64. 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

Overriding the preference for favorable proximal metalation by ortho-directing amide group, a pyrimidine-based directing group (DG) has been demonstrated for diverse remote meta-C-H functionalizations of arenes including allylation, cyanation, alkylation, alkynylation, and deuteration. The scope of palladium-catalyzed meta-C-H functionalizations has been presented with various pharmaceutically relevant phenylacetic acid, hydrocinnamic acid, and naphthylacetic acid derivatives.

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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.

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

Authors Begam, HM; Choudhury, R; Behera, A; Jana, R in AMER CHEMICAL SOC published article about C-H AMINATION; CROSS-COUPLING REACTIONS; BOND FORMATION; HALIDES; DISCOVERY; ARENES; LIGAND; OXIDES; WATER in [Begam, Hasina Mamataj; Choudhury, Rajarshee; Behera, Ashok; Jana, Ranjan] CSIR, Indian Inst Chem Biol, Organ & Med Chem Div, 4 Raja SC Mullick Rd, Kolkata 700032, W Bengal, India; [Choudhury, Rajarshee] NIPER, Kolkata 700054, W Bengal, India in 2019, Cited 55. 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

A practical copper-catalyzed, 2-picolinamide-directed ortho C-H amination of anilines with benzoyl protected hydroxylamines has been disclosed that proceeds smoothly without any external stoichiometric oxidant or additives. Remarkably, besides anilines, bicyclic naphthyl or heterocyclic amines furnished amination products with five and six-membered cyclic and acyclic amines at the ortho position selectively. This electrophilic C-H amination also proceeds smoothly in water under slightly modified reaction conditions.

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

In 2019 J ORG CHEM published article about LIGHT PHOTOREDOX CATALYSIS; ALKYL RADICALS; 9-MESITYL-10-METHYLACRIDINIUM ION; OXIDATIVE DECARBOXYLATION; ESLICARBAZEPINE ACETATE; BENZOIC-ACIDS; AMINO-ACIDS; OLEFINATION; ARYLATION; 4-ACETOXY-2-AZETIDINONES in [Senaweera, Sameera; Cartwright, Kaitie C.; Tunge, Jon A.] Univ Kansas, Dept Chem, 1567 Irving Hill Rd, Lawrence, KS 66045 USA in 2019, Cited 82. 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

Organic molecules bearing acetoxy moieties are important functionalities in natural products, drugs, and agricultural chemicals. Synthesis of such molecules via transition metal-catalyzed C-O bond formation can be achieved in the presence of a carefully chosen directing group to alleviate the challenges associated with regioselectivity. An alternative approach is to use ubiquitous carboxylic acids as starting materials and perform a decarboxylative coupling. Herein, we report conditions for a photocatalytic decarboxylative C-O bond formation reaction that provides rapid and facile access to the corresponding acetoxylated products. Mechanistic investigations suggest that the reaction operates via oxidation of the carboxylate followed by rapid decarboxylation and oxidation by Cu(OAc)(2).

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

Recently I am researching about B(C6F5)(3)-CATALYZED HYDROSILYLATION; CARBONYL; MECHANISM; SILANES, Saw an article supported by the Berlin Graduate School of Natural Sciences and Engineering; Projekt DEAL. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Roy, A; Oestreich, M. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Quality Control of 2-Phenylbutanoic acid

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.

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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. Quality Control of 2-Phenylbutanoic acid

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.

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

I found the field of Biotechnology & Applied Microbiology very interesting. Saw the article Moniliella spathulata, an oil-degrading yeast, which promotes growth of barley in oil-polluted soil published in 2021. Quality Control of 2-Phenylbutanoic acid, Reprint Addresses Mikolasch, A (corresponding author), Ernst Moritz Arndt Univ Greifswald, Inst Microbiol, Felix Hausdorff Str 8, D-17489 Greifswald, Germany.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

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.

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

Product Details of 90-27-7. Deng, XJ; Liu, HX; Zhang, LW; Zhang, GY; Yu, ZX; He, W 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 published Iodoarene-Catalyzed Oxyamination of Unactivated Alkenes to Synthesize 5-Imino-2-Tetrahydrofuranyl Methanamine Derivatives in 2021, Cited 125. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

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.

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

An article To Bind or Not to Bind: Mechanistic Insights into C-CO2 Bond Formation with Late Transition Metals WOS:000529146900023 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. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Safety 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.

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

Recently I am researching about CHIRAL RECOGNITION MECHANISM; BETA-AMINO ACIDS; LIQUID-CHROMATOGRAPHY; CAPILLARY ELECTROCHROMATOGRAPHY; PERFORMANCE; SEPARATIONS; INSIGHTS; POLYSACCHARIDE; ENANTIOMER; QUININE, Saw an article supported by the Ministry of Higher Education and ResearchMinistry of Higher Education & Scientific Research (MHESR). Published in ELSEVIER in AMSTERDAM ,Authors: Raimbault, A; Ma, CMA; Ferri, M; Baurer, S; Bonnet, P; Bourg, S; Lammerhofer, M; West, C. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid. Quality Control of 2-Phenylbutanoic acid

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.

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