Month: November 2021

Safety of 2,4-Dichlorobenzoic acid. Yazdani, E; Heydari, A in [Yazdani, Elahe; Heydari, Akbar] Tarbiat Modares Univ, Chem Dept, POB 14155-4838, Tehran, Iran published Acceptorless dehydrogenative oxidation of primary alcohols to carboxylic acids and reduction of nitroarenes via hydrogen borrowing catalyzed by a novel nanomagnetic silver catalyst in 2020, Cited 46. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0.

A novel silver nano magnetic catalyst was devised for dehydrogenative oxidation of aromatic and aliphatic alcohols to the corresponding acid with water as the sole oxygen source and hydrogen gas as the only byproduct. The designed catalytic system advantages from easy recovery of magnetic materials i.e. magnetic decantation, being economically viable and environmentally friendly. Furthermore, the catalytic reaction is able to reduce aryl nitro compounds in the absence of any reducing agent. (C) 2020 Elsevier B.V. All rights reserved.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Yazdani, E; Heydari, A or concate me.. Safety of 2,4-Dichlorobenzoic acid

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

Recently I am researching about ACETYLCHOLINE-RECEPTOR AGONIST; PHARMACOLOGICAL CHARACTERIZATION; IDENTIFICATION; APOPTOSIS; SUBUNIT; RELEASE, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [NSFC 21572011, 81573410, 31370741, 21272009]; Ministry of Science and Technology of ChinaMinistry of Science and Technology, China [2013CB531302]. Published in PERGAMON-ELSEVIER SCIENCE LTD in OXFORD ,Authors: Li, X; Xie, WJ; Wang, XT; Huang, ZZ; Bian, XL; Wang, KW; Sun, Q. The CAS is 87-63-8. Through research, I have a further understanding and discovery of 2-Chloro-6-methylaniline. SDS of cas: 87-63-8

Structural modifications of nicotinamide, a form of vitamin B3, gave rise to a series of compounds (8aa-8ce) that exhibit activities as type I positive allosteric modulators (PAMs) of human alpha 7 nAChR expressed in Xenopus oocytes in two-electrode voltage clamp assay. The compound 8ai was a potent and efficacious PAM with an EC50 = 3.34 +/- 1.13 mu M and the maximum activation effect of alpha 7 current over 1474 +/- 246% in the presence of acetylcholine (100 mu M). It is highly specific to alpha 7 nAChR over other subtypes of nAChR and 5-HT3A receptors. The structure-activity relationship analysis identified a key skeleton of nicotinamide nucleus critical for biological activity. Taken together, the 8ai as a type I PAM of alpha 7 nAChR may be beneficial for improvement of cognitive deficit.

About 2-Chloro-6-methylaniline, If you have any questions, you can contact Li, X; Xie, WJ; Wang, XT; Huang, ZZ; Bian, XL; Wang, KW; Sun, Q or concate me.. SDS of cas: 87-63-8

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

An article Structural Aspects of the Ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties WOS:000589230700001 published article about MOLECULAR-ORBITAL METHODS; CRYSTAL-STRUCTURES; CARBOXYLIC-ACIDS; GAS-PHASE; 2-FLUOROBENZOIC ACID; HIRSHFELD SURFACES; INFRARED-SPECTRA; ENERGY; PHOTOCHEMISTRY; DEGRADATION in [Ildiz, Gulce Ogruc; Fausto, Rui] Univ Coimbra, Dept Chem, CQC, P-3004535 Coimbra, Portugal; [Ildiz, Gulce Ogruc] Istanbul Kultur Univ, Fac Sci & Letters, Dept Phys, Atakoy Campus, TR-34156 Istanbul, Turkey in 2020.0, Cited 85.0. Application In Synthesis of 2,6-Dichlorobenzoic acid. The Name is 2,6-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-30-6

This article presents a detailed comprehensive investigation of the ortho fluoro- and chloro- substituted benzoic acids both, as isolated molecules and in the crystalline phase. Quantum chemical calculations performed within the density functional theory (DFT) formalism are used to investigate the potential energy landscapes of the molecules, taking into special consideration the effects of the interactions between the carboxylic group and the ortho halogen substituents, as well as the nature of these later on the structure and properties of the investigated systems. The structures of the relevant conformers of the molecules are discussed in comparative terms, and used to rationalize experimental data obtained for the compounds in the gas phase and isolated in low-temperature inert matrices. The UV-induced photofragmentation reactions of two of the compounds isolated in cryogenic inert matrices were studied as illustrative cases. The structures of the crystals reported previously in the literature are revisited and discussed also in a comparative basis. Particular emphasis is given to the analysis of the intermolecular interactions in the different crystals, using Hirshfeld surface analysis, the CE-B3LYP energy decomposition model and the HOMA index, and to their correlation with thermodynamic data.

Application In Synthesis of 2,6-Dichlorobenzoic acid. About 2,6-Dichlorobenzoic acid, If you have any questions, you can contact Ildiz, GO; Fausto, R or concate me.

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

Computed Properties of C7H7Cl. In 2019.0 J AM CHEM SOC published article about STEREOSELECTIVE-SYNTHESIS; DIARYLIODONIUM SALTS; ALPHA-PHENYLATION; FLUORONIUM ION; ANIONS; (Z)-ENETHIOLS; GENERATION; ARYLATION; RESONANCE; BROMONIUM in [Nakajima, Misuzu; Miyamoto, Kazunori; Hirano, Keiichi; Uchiyama, Masanobu] Univ Tokyo, Grad Sch Pharmaceut Sci, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japan; [Uchiyama, Masanobu] RIKEN, Adv Elements Chem Lab, CPR, 2-1 Hirosawa, Wako, Saitama 3510198, Japan; [Uchiyama, Masanobu] Shinshu Univ, RISM, Ueda, Nagano 3868567, Japan in 2019.0, Cited 53.0. The Name is 1-Chloro-2-methylbenzene. Through research, I have a further understanding and discovery of 95-49-8.

We have developed a versatile, high-yield synthesis of diarylchloroniums/lambda(3)-chloranes through the reaction of various chloroarenes with readily prepared mesityldiazonium tetrakis(pentafluorophenyl)borate under mild conditions. The scope of the reaction is broad, including ArCl, ArBr, and ArI. The diarylchloroniums/lambda(3)-chloranes prepared here show unique reactivity in various respects, enabling intermolecular electrophilic arylation reaction of weak nucleophiles, and chlorane-halogane exchange reaction.

Computed Properties of C7H7Cl. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Nakajima, M; Miyamoto, K; Hirano, K; Uchiyama, M or concate me.

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

In 2020 J CHEM INF MODEL published article about MEDICINAL CHEMISTRY; PROTEIN-KINASES; DRUG DISCOVERY; DESIGN; POWERFUL; DATABASE; MUTANT; KLIFS 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 in 2020, Cited 49. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Name: 2-Chloro-6-methylaniline

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.

About 2-Chloro-6-methylaniline, If you have any questions, you can contact Sydow, D; Schmiel, P; Mortier, J; Volkamer, A or concate me.. Name: 2-Chloro-6-methylaniline

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

Category: chlorides-buliding-blocks. Wang, PY; Wang, MW; Zeng, D; Xiang, M; Rao, JR; Liu, QQ; Liu, LW; Wu, ZB; Li, Z; Song, BA; Yang, S in [Wang, Pei-Yi; Wang, Ming-Wei; Zeng, Dan; Xiang, Meng; Rao, Jia-Rui; Liu, Qing-Qing; Liu, Li -Wei; Wu, Zhi-Bing; Song, Bao-An; Yang, Song] Guizhou Univ, State Key Lab Breeding Base Green Pesticide & Agr, Key Lab Green Pesticide & Agr Bioengn, Minist Educ,Ctr R&D Fine Chem, Guiyang 550025, Guizhou, Peoples R China; [Li, Zhong; Yang, Song] East China Univ Sci & Technol, Coll Pharm, Shanghai 200237, Peoples R China published Rational Optimization and Action Mechanism of Novel Imidazole (or Imidazolium)-Labeled 1,3,4-Oxadiazole Thioethers as Promising Antibacterial Agents against Plant Bacterial Diseases in 2019, Cited 46. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0.

The emergence and widespread occurrence of plant bacterial diseases that cause global production constraints have become major challenges to agriculture worldwide. To promote the discovery and development of new bactericides, imidazole-labeled 1,3,4-oxadiazole thioethers were first fabricated by integrating the crucially bioactive scaffolds of the imidazole motif and 1,3,4-oxadiazole skeleton in a single molecular architecture. Subsequently, a superior antibacterial compound A(6) was gradually discovered possessing excellent competence against plant pathogens Xanthomonas oryzae pv oryzae and Xanthomonas axonopodis pv citri with EC50 values of 0.734 and 1.79 mu g/mL, respectively. These values were better than those of commercial agents bismerthiazol (92.6 mu g/mL) and thiodiazole copper (77.0 mu g/mL). Further modifying the imidazole moiety into the imidazolium scaffold led to the discovery of an array of potent antibacterial compounds providing the corresponding minimum EC50 values of 0.295 and 0.607 mu g/mL against the two strains. Moreover, a plausible action mechanism for attacking pathogens was proposed based on the concentration dependence of scanning electron microscopy, transmission electron microscopy, and fluorescence microscopy images. Given the simple molecular structures, easy synthetic procedure, and highly efficient bioactivity, imidazole (or imidazolium)-labeled 1,3,4-oxadiazole thioethers can be further explored and developed as promising indicators for the development of commercial drugs.

Category: chlorides-buliding-blocks. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Wang, PY; Wang, MW; Zeng, D; Xiang, M; Rao, JR; Liu, QQ; Liu, LW; Wu, ZB; Li, Z; Song, BA; Yang, S or concate me.

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

Recently I am researching about NANOPARTICLE CATALYSTS; POLYMERS; PALLADIUM; PERFORMANCE, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21574042, 51273066]; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities [40500-20104-222047]. Quality Control of 1-Chloro-2-methylbenzene. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Liu, Y; Zhang, L; Gao, SG; Shi, BY; Yu, HT; Huang, K. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene

In this work, we present a facile method for anchoring a transition metal catalyst (Pd(PPh3)(4)) into hollow porous organic nanospheres (H-PONs) based on a co-hyper-crosslinking mediated self-assembly strategy by using polylactide-b-polystyrene (PLA-b-PS) and Pd(PPh3)(4) as precursors. The intrinsic catalytic activity of Pd(PPh3)(4) could be well retained even if immobilized into H-PONs through a one-step Scholl reaction. Owing to the hierarchically porous structure, high surface area and well-dispersed active sites, the resulting H-PONs-Pd(PPh3)(4) exhibited excellent catalytic activity, enhanced stability, and good recyclability for the Suzuki-Miyaura coupling in aqueous media. We hope that such a facile synthesis approach can provide a broad platform to support various transition metal catalysts anchored into hollow porous nanomaterials for the heterogeneous catalysis field.

Quality Control of 1-Chloro-2-methylbenzene. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Liu, Y; Zhang, L; Gao, SG; Shi, BY; Yu, HT; Huang, K or concate me.

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

Ganji, N; Karimi, B; Najafvand-Derikvandi, S; Vali, H in [Ganji, Nasim; Karimi, Babak; Najafvand-Derikvandi, Sepideh] Inst Adv Studies Basic Sci IASBS, Dept Chem, POB 45195-1159, Gava Zang 451376731, Zanjan, Iran; [Karimi, Babak] Inst Adv Studies Basic Sci IASBS, Res Ctr Basic Sci & Modern Technol RBST, Zanjan 4513766731, Iran; [Vali, Hojatollah] McGill Univ, Dept Anat & Cell Biol, Montreal, PQ H3A 2A7, Canada; [Vali, Hojatollah] McGill Univ, Facil Electron Microscopy Res, Montreal, PQ H3A 2A7, Canada published Palladium supported on a novel ordered mesoporous polypyrrole/carbon nanocomposite as a powerful heterogeneous catalyst for the aerobic oxidation of alcohols to carboxylic acids and ketones on water in 2020, Cited 86. Recommanded Product: 2,4-Dichlorobenzoic acid. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0.

Preparation of an ordered mesoporous polypyrrole/carbon (PPy/OMC) composite has been described through a two-step nanocasting process using KIT-6 as a template. Characterization of the PPy/OMC nanocomposite by various analysis methods such as TEM, XRD, TGA, SEM and N-2 sorption confirmed the preparation of a material with ordered mesoporous structure, uniform pore size distribution, high surface area and high stability. This nanocomposite was then used for the immobilization of palladium nanoparticles. The nanoparticles were almost uniformly distributed on the support with a narrow particle size of 20-25 nm, confirmed by various analysis methods. Performance of the Pd@PPy/OMC catalyst was evaluated in the aerobic oxidation of various primary and secondary alcohols on water as a green solvent, giving the corresponding carboxylic acids and ketones in high yields and excellent selectivity. The catalyst could also be reused for at least 10 reaction runs without losing its catalytic activity and selectivity. High catalytic efficiency of the catalyst can be attributed to a strong synergism between the PPy/OMC and that of supported Pd nanoparticles.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Ganji, N; Karimi, B; Najafvand-Derikvandi, S; Vali, H or concate me.. Recommanded Product: 2,4-Dichlorobenzoic acid

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

I found the field of Pharmacology & Pharmacy very interesting. Saw the article Discovery and Synthesis of a Pyrimidine-Based Aurora Kinase Inhibitor to Reduce Levels of MYC Oncoproteins published in 2021. Product Details of 50-84-0, Reprint Addresses Chi, YH; Chang, CP (corresponding author), Natl Hlth Res Inst, Inst Biotechnol & Pharmaceut Res, Zhunan 35053, Taiwan.; Chi, YH (corresponding author), China Med Univ, Grad Inst Biomed Sci, Taichung 40402, Taiwan.; Chang, CP (corresponding author), Chung Yuan Christian Univ, Dept Chem, Taoyuan 320314, Taiwan.. The CAS is 50-84-0. Through research, I have a further understanding and discovery of 2,4-Dichlorobenzoic acid

The A-type Aurora kinase is upregulated in many human cancers, and it stabilizes MYC-family oncoproteins, which have long been considered an undruggable target. Here, we describe the design and synthesis of a series of pyrimidine-based derivatives able to inhibit Aurora A kinase activity and reduce levels of cMYC and MYCN. Through structure-based drug design of a small molecule that induces the DFG-out conformation of Aurora A kinase, lead compound 13 was identified, which potently (IC50 < 200 nM) inhibited the proliferation of high-MYC expressing small-cell lung cancer (SCLC) cell lines. Pharmacokinetic optimization of 13 by prodrug strategies resulted in orally bioavailable 25, which demonstrated an 8-fold higher oral AUC (F = 62.3%). Pharmacodynamic studies of 25 showed it to effectively reduce cMYC protein levels, leading to >80% tumor regression of NCI-H446 SCLC xenograft tumors in mice. These results support the potential of 25 for the treatment of MYC-amplified cancers including SCLC.

Product Details of 50-84-0. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Chi, YH; Yeh, TK; Ke, YY; Lin, WH; Tsai, CH; Wang, WP; Chen, YT; Su, YC; Wang, PC; Chen, YF; Wu, ZW; Yeh, JY; Hung, MC; Wu, MH; Wang, JY; Chen, CP; Song, JS; Shih, C; Chen, CT; Chang, CP or concate me.

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

An article Hydroarylation of Alkenes Using Anilines in Hexafluoroisopropanol WOS:000538766900008 published article about HYDROGEN-EXCHANGE; AROMATIC-AMINES; SUBSTITUTED DIALKYLANILINES; ALKYLATION; ACTIVATION; MECHANISM; ACID in [Colomer, Ignacio] Univ Autonoma Madrid, Dept Organ Chem, Madrid 28049, Spain; [Colomer, Ignacio] IMDEA Nanociencia, Madrid 28049, Spain in 2020, Cited 65. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Quality Control of 2-Chloro-6-methylaniline

Providing new methods for the selective functionalization of small molecules is highly desirable, because installing molecular diversity in a desired position, for example, allows one to modulate bioactive molecules. This work reports a method for the selective functionalization of anilines using hexafluoroisopropanol (HFIP) as a solvent to promote an acid-catalyzed hydroarylation of olefins. Mechanistic experiments revealed that HFIP both protonates the alkene and selectively enables anilines toward the electrophilic aromatic substitution. This powerful strategy has been applied to the functionalization of the anti-inflammatory mefenamic acid with chemocontrol and regiocontrol.

Quality Control of 2-Chloro-6-methylaniline. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Colomer, I or concate me.

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