Category: chlorides-buliding-blocks

Kumari, Arram Haritha; Kumar, Jangam Jagadesh; Krishna, Gamidi Rama; Reddy, Raju Jannapu published the artcile< Nickel-Catalyzed Difunctionalization of Alkynyl Bromides with Thiosulfonates and N -Arylthio Succinimides: A Convenient Synthesis of 1,2-Thiosulfonylethenes and 1,1-Dithioethenes>, COA of Formula: C4H4ClNO2, the main research area is alkynyl bromide arylthiosulfonate nickel catalyst regioselective diastereoselective thiosulfonylation; thiosulfonylethene preparation; arylthio succinamide alkynyl bromide nickel catalyst regioselective diastereoselective dithiolation; dithioethene preparation.

An efficient nickel-catalyzed vicinal thiosulfonylation of 1-bromoalkynes with thiosulfonates in the presence of cesium carbonate was described. An operationally simple and highly regioselective atom transfer radical addition (ATRA) of alkynyl bromides provides a wide range of ( E)-1,2-thiosulfonylethenes (α-aryl-β-thioarylvinyl sulfones) in moderate to high yields. The extensive substrate scope of both alkynyl bromides and thiosulfonates was explored with a broad range of functional groups. Indole-derived 1,1-bromoalkenes were also successfully explored in this 1,2-thiosulfonylation process. Moreover, the nickel-catalyzed geminal-dithiolation of alkynyl bromides with N-arylthio succinimides provides 1,1-dithioalkenes in high yields. The present protocol was reliable on gram scale, and a sequential one-pot bromination and thiosulfonylation of phenylacetylene is achieved in a scale-up synthesis. Following control experiments, a plausible mechanism was proposed to rationalize the exptl. outcome and the vicinal thiosulfonylation.

Synthesis published new progress about Alkynes, bromo Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, COA of Formula: C4H4ClNO2.

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

Cevher, Sevki Can; Hizalan, Gonul; Alemdar Yilmaz, Eda; Cevher, Duygu; Udum Arslan, Yasemin; Toppare, Levent; Yildirim, Erol; Cirpan, Ali published the artcile< A comprehensive study: Theoretical and experimental investigation of heteroatom and substituent effects on frontier orbitals and polymer solar cell performances>, Electric Literature of 27841-33-4, the main research area is benzochalcogendiazole polymer solar cell electronic optical photovoltaic property.

Benzochalcogendiazole derivatives are incorporated with thieno[3,4-c]pyrrole-4,6-dione (TPD) acceptor and 4,8-diethoxybenzo[1,2-b:4,5-b′]dithiophene donor to synthesize tree-component random copolymers. Four different copolymers are synthesized and their electronic, optical and photovoltaic properties are compared. Comparisons are aligned in the course of two different strategies, which are the replacement of benzochalcogendiazole moiety and the modification of side group on benzothiadiazole. Theor. calculations by comparing the HOMO-LUMO levels, band gaps and other electronic descriptors of pristine and 2 + 2 two acceptor-based copolymers are investigated. Random copolymer bearing benzoxadiazole moiety, PO exhibits the highest photovoltaic performance of 8.29% with a Jsc of 14.96 mA cm-2, Voc of 0.87 V, fill factor (FF) of 63.70%. PF possesses the highest Voc with a value of 0.88 V, Jsc of 14.40 mA cm-2, power conversion efficiency (PCE) of 7.32% with 58% FF. PS exhibits average feature with Jsc 11.82 mA cm-2, Voc 0.80 V, FF 50%, and 4.72% PCE. Lowest performing selenadiazole containing random copolymer (PSe) copolymer exhibits maximum PCE as 3.65%. These results demonstrate the promising effectiveness of benzoxadiazole selection as an alternative acceptor unit and F atom substitution for the design of (A1-D)-(A2-D) type random copolymers for organic solar cells.

Journal of Polymer Science (Hoboken, NJ, United States) published new progress about Adiabatic electron affinity. 27841-33-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H12N2O2, Electric Literature of 27841-33-4.

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

Haffner, Curt D.; Charnley, Adam K.; Aquino, Christopher J.; Casillas, Linda; Convery, Maire A.; Cox, Julie A.; Elban, Mark A.; Goodwin, Nicole C.; Gough, Peter J.; Haile, Pamela A.; Hughes, Terry V.; Knapp-Reed, Beth; Kreatsoulas, Constantine; Lakdawala, Ami S.; Li, Huijie; Lian, Yiqian; Lipshutz, David; Mehlmann, John F.; Ouellette, Michael; Romano, Joseph; Shewchuk, Lisa; Shu, Arthur; Votta, Bartholomew J.; Zhou, Huiqiang; Bertin, John; Marquis, Robert W. published the artcile< Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors>, Application In Synthesis of 85740-98-3, the main research area is pyrazolo carboxamide derivative preparation RIP2 kinase inhibitor cancer; receptor interacting protein kinase target cancer.

Herein we report the discovery of pyrazolocarboxamides as novel, potent, and kinase selective inhibitors of receptor interacting protein 2 kinase (RIP2). Fragment based screening and design principles led to the identification of the inhibitor series, and X-ray crystallog. was used to inform key structural changes. Through key substitutions about the N1 and C5 N positions on the pyrazole ring significant kinase selectivity and potency were achieved. Bridged bicyclic pyrazolocarboxamide 11 represents a selective and potent inhibitor of RIP2 and will allow for a more detailed investigation of RIP2 inhibition as a therapeutic target for autoinflammatory disorders.

ACS Medicinal Chemistry Letters published new progress about Anti-inflammatory agents. 85740-98-3 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application In Synthesis of 85740-98-3.

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

Li, Rongrong; Yang, Zhipeng; Xu, Hui; Zhao, Hongkun published the artcile< Measurement and calculation of solid-liquid phase equilibrium for ternary 4-chlorophthalic anhydride + 3-chlorophthalic anhydride + acetone system>, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione, the main research area is chlorophthalic acetone ternary system solid liquid phase equilibrium.

The solid-liquid phase equilibrium for ternary system of 4-chlorophthalic anhydride + 3-chlorophthalic anhydride + acetone was measured at different temperatures and the mutual solubility was obtained. Four isothermal phase diagrams were constructed according to the exptl. solubility There existed two pure solid phases at each temperature in the studied system, pure 4-chlorophthalic anhydride and pure 3-chlorophthalic anhydride, which were identified by the wet residue method of Schreinemakers’. The crystallization regions of the pure two solids increase with the decrease in temperature The exptl. solid-liquid phase equilibrium for ternary system was calculated using the Wilson and NRTL models, and the corresponding binary interaction parameters were obtained according to the solubility of binary system. The calculated results agree well with the exptl. data at different temperature Both the models give acceptable results for the investigated systems.

Fluid Phase Equilibria published new progress about Crystallization. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione.

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

Kerru, Nagaraju; Gummidi, Lalitha; Bhaskaruni, Sandeep V. H. S.; Maddila, Surya Narayana; Jonnalagadda, Sreekantha B. published the artcile< Ultrasound-assisted synthesis and antibacterial activity of novel 1,3,4-thiadiazole-1H-pyrazol-4-yl-thiazolidin-4-one derivatives>, Related Products of 70057-67-9, the main research area is diphenylpyrazolyl phenylthiadiazolyl thiazolidinone preparation ultrasonication green chem antibacterial SAR.

An efficient multicomponent method was reported for the synthesis of biol. active 1,3,4-thiadiazole-1H-pyrazol-4-yl-thiazolidin-4-one hybrids I [R = H, 3-Cl, 3,4,5-tri-MeO, etc.] from the reaction of pyrazole-4-carbaldehyde, 5-(substituted phenyl)-1,3,4-thiadiazol-2-amines and 2-mercaptoacetic acid in ethanol under ultrasound irradiation Reactions gave excellent yields (91-97%) of desired products in short times (55-65 min) at 50°C. All the twelve new thiazolidin-4-one derivatives I were fully characterized by spectroscopic techniques and were screened for their antibacterial activity. Among the screened hybrids, derivatives I [R = 3-O2N, 4-O2N] showed fourfold (MBC = 156.3μg/cm3) and twofold (MBC = 312.5μg/cm3) stronger potency against Pseudomonas aeruginosa strain as compared to the standard ciprofloxacin. SAR studies revealed the importance of the functional groups on the Ph ring of 1,3,4-thiadiazol-2-amine moiety for varying bacterial activity. The electron-withdrawing (NO2) group at para- and meta-position played a significant role in enhancing the antibacterial activity. The prominent features of the described protocol are excellent yields, green protocol, catalyst-free, high atom economy (94%) and excellent carbon efficiency (98%).

Monatshefte fuer Chemie published new progress about Antibacterial agents. 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Related Products of 70057-67-9.

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

Gao, Mingshan; Duan, Lei; Luo, Jinfeng; Zhang, Lianwen; Lu, Xiaoyun; Zhang, Yan; Zhang, Zhang; Tu, Zhengchao; Xu, Yong; Ren, Xiaomei; Ding, Ke published the artcile< Discovery and Optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as Novel Selective and Orally Bioavailable Discoidin Domain Receptor 1 (DDR1) Inhibitors>, Safety of 3-Chloro-5-methylaniline, the main research area is pyrazolopyrimidinylethynylbenzamide preparation discoidin domain receptor 1 inhibitor; antitumor activity pharmacokinetics pyrazolopyrimidine substituted ethynylbenzamide.

Discoidin domain receptor 1 (DDR1) is an emerging potential mol. target for new anticancer drug discovery. The authors have discovered a series of 3-(2-(pyrazolo[1,5-a]pyrimidin-6-yl) ethynyl)benzamides that are selective and orally bioavailable DDR1 inhibitors. The two most promising compounds (I and II) inhibited the enzymic activity of DDR1, with IC50 values of 6.8 and 7.0 nM, resp., but were significantly less potent in suppressing the kinase activities of DDR2, Bcr-Abl, and c-Kit. Further study revealed that I bound with DDR1 with a Kd value of 0.6 nM, while it was significantly less potent to the other 455 kinases tested. The S(35) and S(10) selectivity scores of I were 0.035 and 0.008, resp. The compounds also potently inhibited the proliferation of cancer cells expressing high levels of DDR1 and strongly suppressed cancer cell invasion, adhesion, and tumorigenicity. Preliminary pharmacokinetic studies suggested that they possessed good PK profiles, with oral bioavailabilities of 67.4% and 56.2%, resp.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 29027-20-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H8ClN, Safety of 3-Chloro-5-methylaniline.

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

Chen, Jiajia; Xia, Yuanzhi; Lee, Sunwoo published the artcile< Transamidation for the Synthesis of Primary Amides at Room Temperature>, Related Products of 17082-09-6, the main research area is primary amide synthesis transamidation tosyl amide lactam benzamide.

Various primary amides have been synthesized using the transamidation of various tertiary amides under metal-free and mild reaction conditions. When (NH4)2CO3 reacts with a tertiary amide bearing an N-electron-withdrawing substituent, such as sulfonyl and diacyl, in DMSO at 25°C, the desired primary amide product is formed in good yield with good functional group tolerance. In addition, N-tosylated lactam derivatives afforded their corresponding N-tosylamido alkyl amide products via a ring opening reaction.

Organic Letters published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Related Products of 17082-09-6.

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

Terasaki, Masanori; Abe, Ryoko; Makino, Masakazu; Tatarazako, Norihisa published the artcile< Chronic toxicity of parabens and their chlorinated by-products in Ceriodaphnia dubia>, Formula: C8H7ClO3, the main research area is Ceriodaphnia paraben chlorinated byproduct chronic toxicity; Ceriodaphnia dubia; chlorinated by-products; chronic toxicity; multivariate analyses; preliminary risk assessment.

The chronic toxicity of 12 compounds of parabens and their chlorinated byproducts was investigated using 7-day Ceriodaphnia dubia test under static renewal condition in order to generate information on how to disinfect byproducts of preservatives that are discharged in aquatic systems. The mortality and inhibition of reproduction tended to increase with increasing hydrophobicity and decreased with the degree of chlorination of parabens. The EC50 values for mortality, offspring number, and first brood production ranged between 0.30-3.1, 0.047-12, and 1.3-6.3 mg L-1, resp. For the number of neonates, the most sensitive endpoint, the no-observed-effect concentration (NOEC) and lowest-observed-effect concentration (LOEC) values ranged from 0.63 to 10 mg L-1 and from 1.2 to 19 mg L-1, resp. Methylparaben (MP), benzylparaben (BnP), and dichlorinated BnP (Cl2BnP) elicited a significant decrease in offspring numbers even at their lowest concentration tested; the NOEC for these compounds was determined to be less than the lowest test concentration (1.3, 0.04, and 0.63 mg L-1 for MP, BnP, and Cl2BnP, resp.). Propylparaben (PP), chlorinated PP, isopropylparaben (iPP), and chlorinated iPP exhibited nonmonotonic concentration-dependent response; their NOEC and LOEC values could not be determined The multivariate approach involving principal component anal. and hierarchical cluster anal. revealed four groups that corresponded to the toxicol. profiles of parabens. Our results suggested that disinfection of parabens by chlorination could reduce aquatic toxicity of original compounds The findings obtained in our study together with the data available on paraben concentrations in aquatic systems can be used to perform preliminary risk assessment by comparing the predicted environmental concentration (PEC) with the predicted no-effect concentration (PNEC) for the marine aquatic environment. The calculated PEC/PNEC ratios ranged from 0.0012 to 0.2, with the highest value observed in MP. This suggested that there are negligible environmental risks for aquatic organisms at current use levels. © 2013 Wiley Periodicals, Inc. Environ Toxicol, 2013.

Environmental Toxicology published new progress about Aquatic toxicity. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Formula: C8H7ClO3.

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

Shao, Pengcheng P.; Ye, Feng; Chakravarty, Prasun K.; Varughese, Deepu J.; Herrington, James B.; Dai, Ge; Bugianesi, Randal M.; Haedo, Rodolfo J.; Swensen, Andrew M.; Warren, Vivien A.; Smith, McHardy M.; Garcia, Maria L.; McManus, Owen B.; Lyons, Kathryn A.; Li, Xiaohua; Green, Mitchell; Jochnowitz, Nina; McGowan, Erin; Mistry, Shruti; Sun, Shu-Yu; Abbadie, Catherine; Kaczorowski, Gregory J.; Duffy, Joseph L. published the artcile< Aminopiperidine Sulfonamide Cav2.2 Channel Inhibitors for the Treatment of Chronic Pain>, Electric Literature of 5335-40-0, the main research area is aminopiperidine sulfonamide preparation calcium channel analgesic SAR.

The voltage-gated calcium channel Cav2.2 (N-type calcium channel) is a critical regulator of synaptic transmission and has emerged as an attractive target for the treatment of chronic pain. We report here the discovery of sulfonamide-derived, state-dependent inhibitors of Cav2.2. In particular, 19 (I) is an inhibitor of Cav2.2 that is selective over cardiac ion channels, with a good preclin. PK and biodistribution profile. This compound exhibits dose-dependent efficacy in preclin. models of inflammatory hyperalgesia and neuropathic allodynia and is devoid of ancillary cardiovascular or CNS pharmacol. at the doses tested. Importantly, 19 exhibited no efficacy in Cav2.2 gene-deleted mice. The discovery of metabolite 26 confounds further development of members of this aminopiperidine sulfonamide series. This discovery also suggests specific structural liabilities of this class of compounds that must be addressed.

Journal of Medicinal Chemistry published new progress about Allodynia. 5335-40-0 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H7ClO4S2, Electric Literature of 5335-40-0.

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

Rajan, Ida Angel Priya Samuel; Subramani, Muthuraman; Pushparathinam, Gopinath; Rajendran, Saravanakumar published the artcile< Environmentally Benign Transamidation Protocol for Weakly Nucleophilic Aromatic Amines with N-Acyl-2-piperidinones: Catalyst-, Additive-, Base- and Solvent-Free Condition>, Recommanded Product: (E)-Cinnamoyl chloride, the main research area is amide chemoselective green preparation; amine acyl piperidinone transamidation.

Transamidation of weakly nucleophilic aromatic amines was achieved under melt conditions and in absence of catalyst, activating agent, base and solvent to obtain amides RC(O)NHR1 [R = Me, Ph, 4-ClC6H4, etc.; R1 = 4-MeC6H4, 4-FC6H4, 2-OHC6H4, etc.]. Chemoselectivity of the protocol was demonstrated with transamidation of aniline-bearing protic carboxylic acid group and wide range of anilines. Broad applicability of the process was demonstrated with the synthesis of bioactive natural product amide, Avenanthranamide-A. Byproduct was isolated for re-use in synthesis of starting amide, manifests atom economy and sustainability of the protocol. The developed protocol was environmentally benign, operationally simple yet versatile for protection-deprotection free synthesis of amides, peptides and amide-based drugs.

Asian Journal of Organic Chemistry published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Recommanded Product: (E)-Cinnamoyl chloride.

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