Month: December 2021

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. Category: Benzisoxazole. 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.

Category: Benzisoxazole. 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

In 2020 RSC ADV published article about BOND-CLEAVAGE; DIAMINATION; AMINOOXYGENATION; CARBONYLATION; OXIDATION; AMINES; HYDROGENATION; METHYLATION; OXYGENATION; CYCLIZATION in [Liu, Zhenghui; Yan, Zhenzhong; Chen, Suqing] Taizhou Univ, Sch Pharmaceut & Mat Engn, Taizhou 318000, Zhejiang, Peoples R China; [Wang, Peng; Ou, Hualin; Tan, Xingxing] Chinese Acad Sci, Beijig Natl Lab Mol Sci, CAS Res Educ Ctr Excellence Mol Sci, Inst Chem, Beijing 100190, Peoples R China; [Wang, Peng] Henan Normal Univ, Key Lab Green Chem Media & React, Minist Educ, Sch Chem & Chem Engn, Xinxiang, Henan, Peoples R China; [Tan, Xingxing; Yu, Dongkun; Zhao, Xinhui; Mu, Tiancheng] Renmin Univ China, Dept Chem, Beijing 100872, Peoples R China in 2020, Cited 46. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Application In Synthesis of 2-Phenylbutanoic acid

A Cu-based homogeneous catalytic system was proposed for the preparation of imides from alkene-tethered amides. Here, O-2 acted as a terminal oxidant and a cheap and easily available oxygen source. The cleavage of C=C bonds and the formation of C-N bonds were catalyzed by Cu(ii) salts with proper nitrogen-containing ligands under 100 degrees C. The synthesis approach has potential applications in pharmaceutical syntheses. Moreover, scaled-up experiments confirmed the practical applicability.

Application In Synthesis 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

An article Deracemizing alpha-Branched Carboxylic Acids by Catalytic Asymmetric Protonation of Bis-Silyl Ketene Acetals with Water or Methanol WOS:000475080500001 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. Category: Benzisoxazole. 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.

Welcome to talk about 90-27-7, If you have any questions, you can contact Mandrelli, F; Blond, A; James, T; Kim, H; List, B or send Email.. Category: Benzisoxazole

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

COA of Formula: C10H12O2. 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.

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.. COA of Formula: C10H12O2

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

An article Enantiospecific electrochemical rearrangement for the synthesis of hindered triazolopyridinone derivatives WOS:000553543200002 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. Formula: C10H12O2

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.

Formula: C10H12O2. 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

Product Details of 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.

Product Details of 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

SDS of cas: 90-27-7. Authors Du, RL; Bei, HK; Jia, LH; Huang, CY; Chen, QZ; Tao, CL; Chen, J; Bo, HB in ELSEVIER IRELAND LTD published article about in [Du, Ruilan; Bei, Haikang; Jia, Lihong; Huang, Chunyan; Chen, Qizhu; Tao, Changli; Bo, Huaben] Guangdong Pharmaceut Univ, Sch Biosci & Biopharmaceut, Guangdong Prov Key Lab Biotechnol Drug Candidates, Guangzhou 510006, Guangdong, Peoples R China; [Chen, Jun] Guangdong Pharmaceut Univ, Coll Pharm, Guangzhou 510006, Guangdong, Peoples R China in 2020, Cited 32. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Ethnopharmacological relevance: Danggui Buxue Tang (DBT) has been used to promote hematopoiesis and relieve myelosuppression in China. Antibiotics can cause myelosuppression through gut microbiota disorders. Aim of the study: This study aims to explore the way of DBT to alleviate the metabolic disorder caused by antibiotics. Materials and methods: In this study, 16S rRNA sequencing was used to detect the change of gut microbiota, metabolomics to analyze the change of metabolites. Correlation analysis was used to establishment the correlation between gut microbiota and metabolites. PICRUST 2 was used to predict the function of gut microbiota. Results: Results showed that eighty-two genera of gut microbiota were affected by antibiotic, while twelve were significantly restored after DBT. Seventy-four potential metabolites were significantly different from the antibiotics and DBT. We found significant recovery by the Bacteroides and Rikenellaceae RC9 after DBT. The metabolic pathways influenced by the antibiotic treatment included primary and secondary bile biosynthesis, etc. The metabolic pathways that could be restored after DBT included the primary and secondary bile acid biosynthesis pathway, etc. Through correlation analysis, we found a correlation between the Bacteroides, Rikenellaceae_RC9_gut_groupand other potential differential metabolisms such as those of taurodeoxycholic acid, N-phenylacetyl glycine, etc. The functional prediction showed that the biosynthesis of primary bile acid, secondary bile acid was significantly affected. Conclusions: DBT can restore the gut and reverse the metabolic disorder caused by antibiotics through Bacteroides, and it provides a new medical idea regarding the gut microbiota balance.

Welcome to talk about 90-27-7, If you have any questions, you can contact Du, RL; Bei, HK; Jia, LH; Huang, CY; Chen, QZ; Tao, CL; Chen, J; Bo, HB or send Email.. SDS of cas: 90-27-7

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

HPLC of Formula: C10H12O2. 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.

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).

HPLC of Formula: C10H12O2. 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

Application In Synthesis of 2-Phenylbutanoic acid. Authors Chen, KQ; Shen, J; Wang, ZX; Chen, XY in ROYAL SOC CHEMISTRY published article about in [Chen, Kun-Quan; Shen, Jie; Wang, Zhi-Xiang; Chen, Xiang-Yu] Univ Chinese Acad Sci, Sch Chem Sci, Beijing 100049, 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

Olefins are prevalent substrates and functionalities. The synthesis of olefins from readily available starting materials such as alcohols, amines and carboxylic acids is of great significance to address the sustainability concerns in organic synthesis. Metallaphotoredox-catalyzed defunctionalizations were reported to achieve such transformations under mild conditions. However, all these valuable strategies require a transition metal catalyst, a ligand or an expensive photocatalyst, with the challenges of controlling the region- and stereoselectivities remaining. Herein, we present a fundamentally distinct strategy enabled by electron donor-acceptor (EDA) complexes, for the selective synthesis of olefins from these simple and easily available starting materials. The conversions took place via photoactivation of the EDA complexes of the activated substrates with alkali salts, followed by hydrogen atom elimination from in situ generated alkyl radicals. This method is operationally simple and straightforward and free of photocatalysts and transition-metals, and shows high regio- and stereoselectivities.

Welcome to talk about 90-27-7, If you have any questions, you can contact Chen, KQ; Shen, J; Wang, ZX; Chen, XY or send Email.. Application In Synthesis of 2-Phenylbutanoic acid

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

An article Global Diastereoconvergence in the Ireland-Claisen Rearrangement of Isomeric Enolates: Synthesis of Tetrasubstituted alpha-Amino Acids WOS:000605189000037 published article about DIASTEREOSELECTIVE SYNTHESIS; STEREOSELECTIVE-SYNTHESIS; ESTERS; BOAT in [Fulton, Tyler J.; Cusumano, Alexander Q.; Alexy, Eric J.; Du, Yun E.; Stoltz, Brian M.] CALTECH, Warren & Katharine Schlinger Lab Chem & Chem Engn, Div Chem & Chem Engn, Pasadena, CA 91125 USA; [Zhang, Haiming] Genentech Inc, Small Mol Proc Chem, San Francisco, CA 94080 USA; [Houk, K. N.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA in 2020, Cited 35. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Application In Synthesis of 2-Phenylbutanoic acid

A dual experimental/theoretical investigation of the Ireland-Claisen rearrangement of tetrasubstituted alpha-phthalimido ester enolates to afford alpha-tetrasubstituted, beta-trisubstituted alpha-amino acids (generally >20:1 dr) is described. For trans allylic olefins, the Z- and E-enol ethers proceed through chair and boat transition states, respectively. For cis allylic olefins, the trend is reversed. As a result, the diastereochemical outcome of the reaction is preserved regardless of the geometry of the enolate or the accompanying allylic olefin. We term this unique convergence of all possible olefin isomers global diastereoconvergence. This reaction manifold circumvents limitations in present-day technologies for the stereoselective enolization of alpha,alpha-disubstituted allyl esters. Density functional theory paired with state-of-the-art local coupled-cluster theory (DLPNO-CCSD(T)) was employed for the accurate determination of quantum mechanical energies.

Application In Synthesis 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