Month: February 2022

Recommanded Product: 50-84-0. In 2019 NEW J CHEM published article about H BOND ACTIVATION; METAL-FREE; TRICHLOROISOCYANURIC ACID; OXIDATIVE ESTERIFICATION; UNACTIVATED ALKENES; METHYL-ESTERS; PHOTOCATALYST; AMIDATION; ALCOHOLS; DRIVEN in [Gaspa, Silvia; Raposo, Ines; Pereira, Leonor; Mulas, Gabriele; De Luca, Lidia] Univ Sassari, Dipartimento Chim & Farm, Via Vienna 2, I-07100 Sassari, Italy; [Ricci, Pier Carlo] Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, Italy; [Porcheddu, Andrea] Univ Cagliari, Dipartimento Sci Chim & Geol, I-09042 Monserrato, Italy in 2019, Cited 74. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0.

A transition metal- and organophotocatalyst free synthesis of esters, carboxylic anhydrides and amides from aldehydes induced by visible-light has been reported. The proposed methodology can be carried out by the use of sunlight or artificial visible light as a blue LED source. The methodology has a very broad applicability and the desired products are obtained in very satisfactory yields.

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Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Zhou, QF; Du, FY; Chen, YG; Fu, Y; Chen, GL in [Zhou, Qifan; Du, Fangyu; Chen, Yuanguang; Fu, Yang; Chen, Guoliang] Shenyang Pharmaceut Univ, Minist Educ, Key Lab Struct Based Drug Design & Discovery, Shenyang 110016, Liaoning, Peoples R China published On Water promoted N-arylation reactions using Cu (0)/myo-inositol catalytic system in 2019, Cited 53. Safety of 2,4-Dichlorobenzoic acid. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0.

Myo-inositol is originally applied as a cardiovascular medicine in clinic, which can be multi-ton manufactured via extraction from the byproducts in agricultural product processing such as defatted rice bran and corn-soaking water. Herein, the application of myo-inositol (MI) as a novel versatile tridentate O-donor ligand has been first described for promoting Cu-catalyzed amination reaction in aqueous medium. (C) 2019 Published by Elsevier Ltd.

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Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Recently I am researching about CHEMOSELECTIVE HYDROGENATION; PALLADIUM NANOPARTICLES; SELECTIVE HYDROGENATION; RECYCLABLE CATALYST; REDUCTION, Saw an article supported by the Zhejiang Province Public Welfare Technology Research Program [LGG19B040001]; Zhejiang Natural Science FoundationNatural Science Foundation of Zhejiang Province [LY18B020017]; Taizhou Science and Technology Project [1801gy21]. Quality Control of 2-Chloro-6-methylaniline. Published in BMC in LONDON ,Authors: Guo, HC; Zheng, RH; Jiang, HJ; Xu, ZY; Xia, AB. The CAS is 87-63-8. Through research, I have a further understanding and discovery of 2-Chloro-6-methylaniline

Background The side reactions of dehalogenation or C-N coupling tend to occur when halogenated aromatic amines are prepared by catalytic hydrogenation reduction of halogenated aromatic nitro compounds. In this paper, we prepared the sub-microspherical Fe3O4@PDA-Pd NPs catalyst apply it efficiently in the hydrogenation reduction of halogenated aromatic nitro compounds to prepare the halogenated aromatic amines under atmospheric pressure. The catalyst shows a high selectivity of greater than 96% and can effectively inhibit the occurrence of the side reactions of dehalogenation and C-N coupling. Results The optimum condition of the hydroreduction reaction is when tetrahydrofuran is used as solvent and the reaction happens at 50 degrees C for 5 h. The selectivity of the chlorinated aromatic amine and the fluorinated aromatic amine products exceed 99% and the yield exceeds 90%. Only a small amount of dehalogenated products and C-N coupling by-products were produced in the brominated aromatic compound and the iodinated aromatic compound. Conclusion We developed a promising method for preparing the superparamagnetic and strongly magnetic Fe3O4@PDA core-shell sub-microsphere-supported nano-palladium catalyst for catalyzing the hydrogenation reduction of halogenated aromatic nitro compounds. The halogenated aromatic amines were efficiently and highly selectively prepared under atmospheric pressure, with the side reactions of dehalogenation and C-N coupling effectively inhabited simultaneously.

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Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Product Details of 95-49-8. In 2020.0 J MOL STRUCT published article about PALLADIUM-CATALYZED SUZUKI; STATE; BASE in [Jabeen, Sobia; Khera, Rasheed Ahmad; Iqbal, Javed] Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, Pakistan; [Iqbal, Javed] Univ Agr Faisalabad, Punjab Bioenergy Inst, Faisalabad 38040, Pakistan; [Asgher, Muhammad] Univ Agr Faisalabad, Dept Biochem, Faisalabad 38040, Pakistan in 2020.0, Cited 33.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8.

DFT calculations have been demonstrated to be a valuable tool for the mechanistic study of reaction which is difficult to acquire from pure experimental techniques. Structural, electronic and coordination aspects of synthesized triazole ligands were investigated theoretically by structure optimization on Gaussian 09 package by DFT approach at B3LYP/6-31G (d, p). HOMO-LUMO energy gaps correlated to its chemical reactivity and this information applied to interpret the role of ligand in the formation of ligand-metal complex. Electron rich environment around the triazole core stabilized the HOMO orbital and made these electrons available to form complex with Pd centre. The DFT calculations provide a plausible mechanism for the reaction that is consistent with the available experimental facts. A series of triazole ligands have been synthesized via efficient 1,3-dipolar cycloaddition of readily available azide and alkynes for coordination to Pd centre. Characterization of all the synthesized compounds was done by FTIR, H-1 NMR, C-13 NMR and HRMS. Their ligand-Pd complexes provided excellent yields in the Suzuki-Miyaura coupling reactions (up to 92% yield) of unactivated aryl chlorides. Ligand 4-(2,6-dimethoxyphenyl)-1-phenyl-1H-1,2,3-triazole (L2) was found to be most effective ligand because of electron donating 2,6 dimethoxy phenyl moiety attached to triazole ring at 4-position that facilitated the formation of electron rich ligand-catalyst complex. The complex favoured the oxidative addition step of Pd across the aryl chloride substrate and thus allowed for the development of highly active ligand-catalyst system for Suzuki reaction. During computational analysis, 4-(2,6-dimethoxyphenyl)-1-phenyl-1H-1,2,3-triazole (L2) also showed lowest band gap due to electron rich distribution pattern on the HOMO that are involve in ligand-Pd complex formation. Conclusively, these triazoles ligands were found to be more competent and attractive for palladium catalyst because of simplistic pathway for the synthesis of triazole motif and the ease of individual tuning of the substituents on triazole core or exocyclic to it. (C) 2020 Elsevier B.V. All rights reserved.

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Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

An article Concise Synthesis of Isocoumarins through Rh-Catalyzed Direct Vinylene Annulation: Scope and Mechanistic Insight WOS:000551552600081 published article about C-H/O-H; (ELECTRON-DEFICIENT ETA(5)-CYCLOPENTADIENYL)RHODIUM(III) CATALYST; BENZOIC-ACIDS; CARBOXYLIC-ACIDS; OXIDATIVE ANNULATION; NATURAL-PRODUCTS; ACTIVATION/ALKYNE ANNULATION; WEAK COORDINATION; ALPHA-PYRONES; N BOND in [Mihara, Gen; Ghosh, Koushik; Miura, Masahiro] Osaka Univ, Grad Sch Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan; [Nishii, Yuji] Osaka Univ, Grad Sch Engn, Frontier Res Base Global Young Researchers, Suita, Osaka 5650871, Japan in 2020, Cited 66. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. SDS of cas: 50-84-0

Transition-metal-catalyzed activation of inert C-H bonds and subsequent C-C bond formation have emerged as powerful synthetic tools for the synthesis of elaborate cyclic molecules. In this report, we introduce an efficient synthetic method of 3,4-unsubstituted isocoumarins adopting an electron-deficient (CpRh)-Rh-E complex as the catalyst. The use of vinylene carbonate as a vinylene transfer reagent enables the direct construction of isocoumarins from readily available benzoic acids, without any external oxidants as well as bases. The reaction mechanism is evaluated by computational analysis to find an unprecedented rhodium shift event within the catalytic cycle.

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Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

In 2019 ADV OPT MATER published article about LIGHT-EMITTING-DIODES; CHARGE-TRANSFER; THIOXANTHONE DERIVATIVES; MOLECULAR DESIGN; ACCEPTOR; PHOTOLUMINESCENCE; IMPACT; OLEDS in [Wei, Xiaofang; Li, Zhiyi; Liu, Jianjun; Wang, Ruifang; Hu, Xiaoxiao; Wang, Pengfei; Wang, Ying] Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Photochem Convers & Optoelect Mat, Beijing 100190, Peoples R China; [Wei, Xiaofang; Li, Zhiyi; Liu, Jianjun; Wang, Ruifang; Hu, Xiaoxiao; Wang, Pengfei; Wang, Ying] Univ Chinese Acad Sci, Sch Future Technol, Beijing 100049, Peoples R China; [Hu, Taiping; Duan, Ruihong; Liu, Jianjun; Yi, Yuanping] Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China in 2019, Cited 38. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Computed Properties of C7H4Cl2O2

Four donor-acceptor-donor region isomers (2,3-TXO-PhCz, 2,6-TXO-PhCz, 2,7-TXO-PhCz, and 3,6-TXO-PhCz) are designed. The substitution positions of the two PhCz units significantly impact the photophysical properties of the isomers, especially for the singlet-triplet energy splitting (Delta E-ST) and oscillator strength (f ). 2,3-TXO-PhCz exhibits weak emission due to the large steric hindrance of the two PhCz units. While 2,6-TXO-PhCz, 2,7-TXO-PhCz, and 3,6-TXO-PhCz all exhibit strong emission. The four emitters possess small Delta E-ST of 0.01-0.24 eV; the corresponding f values are 0.064, 0.107, 0.026, and 0.134. Consequently, the photoluminescence quantum yields (PLQYs) of the doped films in CBP host are: 62.1% for 2,3-TXO-PhCz, 83.8% for 2,6-TXO-PhCz, 89.0% for 2,7-TXO-PhCz, and 85.4% for 3,6-TXO-PhCz. Although notable divergences of f and Delta E-ST exist between 2,6-TXO-PhCz and 2,7-TXO-PhCz, similar PLQY of doped film in the CBP host, and exciton utilization and external quantum efficiency (EQE) of the corresponding devices can be achieved: 2,6-TXO-PhCz and 2,7-TXO-PhCz endow the organic light-emitting devices with high EQE of 23.2% and 24.4%. This proximity can be attributed to the synergistic effect of f and Delta E-ST. This finding highlights the beneficial role of the different linking positions on the acceptor unit in facilitating the adjustment of f and Delta E-ST in order to improve the device efficiency.

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Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Category: chlorides-buliding-blocks. Authors Chen, JN; Wu, XK; Lu, CH; Li, X in PERGAMON-ELSEVIER SCIENCE LTD published article about in [Chen, Ji-Ning; Lu, Chun-Hua; Li, Xun] Shandong Univ, Cheeloo Coll Med, Sch Pharmaceut Sci, Minist Educ,Key Lab Chem & Chem Biol, Jinan 250012, Shandong, Peoples R China; [Li, Xun] Shandong First Med Univ & Shandong Acad Med Sci, Inst Mat Med, Jinan 250002, Shandong, Peoples R China; [Wu, Xing-Kang] Shanxi Univ, Modern Res Ctr Tradit Chinese, Taiyuan 030006, Shanxi, Peoples R China in 2021.0, Cited 19.0. The Name is 2,6-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-30-6

Unlike other DNA topoisomerase II (topo II) inhibitors, our recently identified acridone derivative E17 exerted strong cytotoxic activity by inhibiting topo II without causing topo II degradation and DNA damage, which promoted us to explore more analogues of E17 by expanding its chemical diversification and enrich the structure-activity relationship (SAR) outcomes of acridone-oriented chemotypes. To achieve this goal, 42 novel acridone derivatives were synthesized and evaluated for their antiproliferative efficacies. SAR investigations revealed that orientation and spatial topology of R-3 substituents make greater contributions to the bioactivity, exemplified by compounds E24, E25 and E27, which has provided valuable information for guiding further development of acridone derivatives as promising drug candidates.

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Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

An article Catalytic enantioselective synthesis of beta-amino alcohols by nitrene insertion WOS:000603532700001 published article about C-H AMINATION; ASYMMETRIC AMINOHYDROXYLATION; STEREOSELECTIVE-SYNTHESIS; RUTHENIUM; METAL; AMIDATION; CHIRALITY; LIGANDS; COMPLEX in [Zhou, Zijun; Tan, Yuqi; Shen, Xiang; Ivlev, Sergei; Meggers, Eric] Philipps Univ Marburg, Fachbereich Chem, Hans Meerwein Str 4, D-35043 Marburg, Germany in 2021, Cited 49. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Safety of 2,4-Dichlorobenzoic acid

Chiral beta-amino alcohols are important building blocks for the synthesis of drugs, natural products, chiral auxiliaries, chiral ligands and chiral organocatalysts. The catalytic asymmetric beta-amination of alcohols offers a direct strategy to access this class of molecules. Herein, we report a general intramolecular C(sp(3))-H nitrene insertion method for the synthesis of chiral oxazolidin-2-ones as precursors of chiral beta-amino alcohols. Specifically, the ring-closing C(sp(3))-H amination of N-benzoyloxycarbamates with 2 mol% of a chiral ruthenium catalyst provides cyclic carbamates in up to 99% yield and with up to 99% ee. The method is applicable to benzylic, allylic, and propargylic C-H bonds and can even be applied to completely non-activated C (sp(3))-H bonds, although with somewhat reduced yields and stereoselectivities. The obtained cyclic carbamates can subsequently be hydrolyzed to obtain chiral beta-amino alcohols. The method is very practical as the catalyst can be easily synthesized on a gram scale and can be recycled after the reaction for further use. The synthetic value of the new method is demonstrated with the asymmetric synthesis of a chiral oxazolidin-2-one as intermediate for the synthesis of the natural product aurantioclavine and chiral beta-amino alcohols that are intermediates for the synthesis of chiral amino acids, indane-derived chiral Box-ligands, and the natural products dihydrohamacanthin A and dragmacidin A.

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Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Recommanded Product: 95-49-8. Daryanavard, M; Ataei, A; Rafiee, E; Joshaghani, M in [Daryanavard, Marzieh] Estahban Higher Educ Ctr, Dept Chem, Estahban 7451944655, Iran; [Ataei, Ali; Rafiee, Ezzat; Joshaghani, Mohammad] Razi Univ, Dept Inorgan Chem, Fac Chem, Kermanshah 67149, Iran; [Rafiee, Ezzat; Joshaghani, Mohammad] Razi Univ, Inst Nanosci & Nanotechnol, Kermanshah 67149, Iran published Ni(acac)(2)/2,6-bis(diphenylphosphino)pyridine/CuI: A highly efficient palladium-free homogeneous catalyst for the Sonogashira cross-coupling reaction in 2020.0, Cited 56.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8.

A highly efficient palladium-free homogeneous catalyst involving Ni(acac)(2)/2,6-bis(diphenylphosphino) pyridine ((Ph2P)(2)py)/CuI components was used for the Sonogashira cross-coupling reaction. The Sonogashira reaction was investigated between phenylacetylene and various bromoand chloroarenes containing electron neutral, electron-rich, electron-poor, electron-deficient, and sterically hindered aryl fragments. The aryl alkynes coupling products were obtained with good to excellent yields at the optimized conditions using Ni(acac)(2) (0.3 mol%)/(Ph2P)(2)py (0.6 mol%)/CuI (0.03 mol%) as the catalyst, tetrabutylammonium bromide (TBAB) as the additive, Et3N as the base in DMF at 100 degrees C under N-2 atmosphere.

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Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Category: chlorides-buliding-blocks. Sydow, D; Schmiel, P; Mortier, J; Volkamer, A in [Sydow, Dominique; Schmiel, Paula; Volkamer, Andrea] Charite, Inst Physiol, Silico Toxicol & Struct Bioinformat, D-10117 Berlin, Germany; [Mortier, Jeremie] Bayer AG, Digital Technol Computat Mol Design, D-13342 Berlin, Germany published KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination in 2020, Cited 49. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8.

Protein kinases play a crucial role in many cell signaling processes, making them one of the most important families of drug targets. In this context, fragment-based drug design strategies have been successfully applied to develop novel kinase inhibitors. These strategies usually follow a knowledge-driven approach to optimize a focused set of fragments to a potent kinase inhibitor. Alternatively, KinFragLib explores and extends the chemical space of kinase inhibitors using data-driven fragmentation and recombination. The method builds on available structural kinome data from the KLIFS database for over 2500 kinase DFG-in structures cocrystallized with noncovalent kinase ligands. The computational fragmentation method splits the ligands into fragments with respect to their 3D proximity to six predefined functionally relevant subpocket centers. The resulting fragment library consists of six subpocket pools with over 7000 fragments, available at https://github.com/volkamerlab/KinFragLib. KinFragLib offers two main applications: on the one hand, in-depth analyses of the chemical space of known kinase inhibitors, subpocket characteristics, and connections, and on the other hand, subpocket-informed recombination of fragments to generate potential novel inhibitors. The latter showed that recombining only a subset of 624 representative fragments generated 6.7 million molecules. This combinatorial library contains, besides some known kinase inhibitors, more than 99% novel chemical matter compared to ChEMBL and 63% molecules compliant with Lipinski’s rule of five.

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Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics