Day: November 29, 2021

Product Details of 90-27-7. 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.

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

In 2019 ACS CATAL published article about REDOX-ACTIVE ESTERS; PHOTOCHEMICAL GENERATION; O-ACYLOXIMES; PHOTOREDOX; CATALYSIS; N-(ACYLOXY)PHTHALIMIDES; SECONDARY; AMINATION; MECHANISM; OXIMES in [Soni, Vineet Kumar; Kang, Jihee; Hwang, Ho Seong; Cho, Eun Jin] Chung Ang Univ, Dept Chem, 84 Heukseok Ro, Seoul 06974, South Korea; [Lee, Sumin; Moon, Yu Kyung; You, Youngmin] Ewha Womans Univ, Div Chem Engn & Mat Sci, Seoul 03760, South Korea in 2019, Cited 82. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Formula: C10H12O2

Reductive N-O bond cleavage has been widely explored for providing either N or O radical species for various coupling processes. Despite significant advances, this photoredox pathway is less appealing due to poor atom economy owing to the loss of one fragment during the transformation. In this regard, the homolytic N-O bond cleavage by an energy-transfer pathway to provide two key radicals would be highly desirable for overcoming the limitations of the use of one fragment. We report an exclusive energy-transfer approach for the development of a challenging radical-radical C(sp(3))-N cross-coupling process by reactivity-tuning of the catalytic system. The homolytic N-O bond cleavage of oxime esters in the presence of an Ir complex produces acyloxy and iminyl radicals, which undergo decarboxylative cross-coupling to yield valuable imines (typically 0.25 mol % cat. and 1 h reaction time). Extensive photophysical and electrochemical measurements, as well as density functional theory studies, were carried out to probe the mechanism and the operation of a Dexter-type energy-transfer pathway was revealed. The choice of solvent (EtOAc) and reaction concentration were critical for achieving the selectivity and reactivity in this cross-coupling process. The synthetic utility of this method was explored by studying highly functionalized oxime esters, including derivatives of biologically active natural products and drug molecules. Furthermore, in situ transformations of the imine products into pharmaceutically important amines were also demonstrated, showcasing the utility of the imine products as valuable amine building blocks.

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

An article Mechanistic Investigation of the Nickel-Catalyzed Carbonylation of Alcohols WOS:000526340300015 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. Quality Control of 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.

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

I found the field of Engineering; Environmental Sciences & Ecology very interesting. Saw the article Performance of UV/acetylacetone process for saline dye wastewater treatment: Kinetics and mechanism published in 2021. Computed Properties of C10H12O2, Reprint Addresses Wang, ZH (corresponding author), Donghua Univ, State Environm Protect Engn Ctr Pollut Treatment, Coll Environm Sci & Engn, Shanghai 201620, Peoples R China.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

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.

Computed Properties of 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

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. Safety 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.

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

SDS of cas: 90-27-7. Yang, XY; Ma, YR; Di, HM; Wang, XC; Jin, H; Ryu, DH; Zhang, LX in [Yang, Xinyue; Ma, Yanrong; Di, Huiming; Wang, Xiaochen; Jin, Hui; Zhang, Lixin] Shenyang Univ Chem Technol, Inst Funct Mol, Shenyang 110142, Peoples R China; [Yang, Xinyue; Ma, Yanrong; Di, Huiming; Wang, Xiaochen; Jin, Hui; Zhang, Lixin] Natl Local Joint Engn Lab Dev Boron & Magnesium R, Shenyang 110142, Peoples R China; [Yang, Xinyue; Ma, Yanrong; Di, Huiming; Wang, Xiaochen; Jin, Hui; Zhang, Lixin] Liaoning Prov Key Lab Green Funct Mol Design & De, Shenyang 110142, Peoples R China; [Ryu, Do Hyun] Sungkyunkwan Univ, Dept Chem, Suwon 440746, South Korea published A Mild Method for Access to alpha-Substituted Dithiomalonates through C-Thiocarbonylation of Thioester: Synthesis of Mesoionic Insecticides in 2021, Cited 53. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

An efficient method for targeting a variety of symmetrical and asymmetrical alpha-substituted dithiomalonates (DTMs) is described, utilizing 1H-imidazole-1-carbothioates as reactive acylating agents and MgBr2 center dot OEt2/DBU or LiHMDS for soft or hard enolization conditions of thioesters, respectively. The utility of this methodology was demonstrated through the synthesis of the pyridopyrimidine mesoionic insecticides: triflumezopyrim and dicloromezotiaz.

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

An article Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach WOS:000514749200033 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. HPLC of Formula: C10H12O2. 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.

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

In 2020 ORGANOMETALLICS 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. 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

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.

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

An article Palladium-Catalyzed 2-(Neopentylsulfinyl)aniline Directed C-H Acetoxylation and Alkenylation of Arylacetamides WOS:000513195600001 published article about PHENYLACETIC ACIDS; SULFINYL ANILINE; ACTIVATION REACTIONS; ARYLATION; BOND; FUNCTIONALIZATION; OLEFINATION; AUXILIARY; ARENES; CYCLOPROPANOLS in [Barysevich, Maryia, V; Laktsevich-Iskryk, Marharyta, V; Krech, Anastasiya, V; Zhabinskii, Vladimir N.; Khripach, Vladimir A.; Hurski, Alaksiej L.] Natl Acad Sci Belarus, Inst Bioorgan Chem, Kuprevich Str 5-2, Minsk 220141, BELARUS in 2020, Cited 85. 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

The 2-(neopentylsulfinyl)aniline directing group that promotes rapid palladium-catalyzed C-H acetoxylation and alkenylation of arylacetamides has been developed. The acetoxylation reaches completion within only 40 min at 100 degrees C and leads to the bis-functionalized products. Alternatively, the reaction can be carried out at room temperature, which is beneficial for sensitive substrates. For the alkenylation, we have developed a protocol in which easily available 1-substituted cyclopropanols were employed as equivalents of vinyl ketones.

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

An article Synthesis, Structural Analysis, and Biological Evaluation of Novel ((2,4-dioxothiazolidin-5-ylidene)methyl)phenyl Derivatives WOS:000529539700002 published article about HUMAN 15-HYDROXYPROSTAGLANDIN DEHYDROGENASE in [Na, A. Ri; Cho, Hoon] Chosun Univ, Dept Polymer Sci & Engn, Gwangju 61452, South Korea; [Choi, Dubok] B K Co Ltd, Biotechnol Lab, Jeonbuk 5703, South Korea in 2020, Cited 28. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Name: 2-Phenylbutanoic acid

The objective of this study was to evaluate the synthesis, structural analysis, and biological effects of novel ((2, 4-dioxothiazolidin-5-ylidene)methyl)phenyl derivatives. The efficacy of 15-PGDH inhibition increased for the substituents in the derivatives in the order: cyclohexylpropyl > cyclohexylethyl > cyclohexylmethyl > cyclohexyl. Compound 12 inhibited 15-PGDH activity by binding to the amino acids Ile 214, Ile 210, Ile 194, Gln 148, and Leu 191 of 15-PGDH. Compounds 4, 22, and 23 produced the highest increment in PGE(2) concentration, which was 122.19, 100.14, and 206.80%, respectively, compared to that of the control. Also, compounds 38 and 39, in which the central phenyl ring and the 2, 4-thiazolidinedione moiety were linked by a single bond, produced a relatively high increment in PGE(2) concentration, which was 106.81 and 118.66%, respectively, compared to that of the control. The wound closure rates of compounds 22 and 39 were the highest, being 247.56 and 202.42%, respectively, compared to that of the positive control. Therefore, compounds 22 and 39 could not only efficiently regulate PGE(2) concentration, but also induce cellular regeneration, and are expected to effectively treat a variety of diseases resulting from PGE(2) deficiency.

Name: 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