Tag: M.W=150-200

Jing, Ke published the artcileVisible-light photoredox-catalyzed carboxylation of benzyl halides with CO₂: Mild and transition-metal-free, HPLC of Formula: 939-99-1, the publication is Chinese Journal of Catalysis (2022), 43(7), 1667-1673, database is CAplus.

The visible-light photoredox-catalyzed carboxylation of benzyl chlorides and bromides with CO₂ has been reported. With inexpensive organic dyes as photocatalysts and amines as electron donors, this carboxylation proceeds well in the absence of sensitive organometallic reagents, transition metal catalysts, or metallic reductants. A wide range of com. available and inexpensive benzyl halides undergo such carboxylation to give valuable aryl acetic acids, including several pharmaceutical mols. and drug precursors, in moderate to high yields. Moreover, this reaction features mild reaction conditions (one atm. pressure of CO₂ and room temperature), broad substrate scope, good functional group tolerance, easy scalability, and low catalyst loading, thus providing an efficient approach for the assembly of aryl acetic acids.

Chinese Journal of Catalysis published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, HPLC of Formula: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cai, Wen-Qiang published the artcileNi-Catalyzed Enantioselective Benzylation of Secondary Phosphine Oxide, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Organic Letters (2022), 24(5), 1258-1262, database is CAplus and MEDLINE.

A nickel-catalyzed benzylic substitution of secondary phosphine oxide was described, affording the dialkylated P-stereogenic tertiary phosphine oxides with high to excellent enantioselectivities. The reaction was performed under mild conditions with com. available benzyl chlorides and bench stable secondary phosphine oxides, exhibiting broad functional group tolerance. It represented a practical example for the preparation of P-stereogenic phosphine compounds

Organic Letters published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Zhong-Rui published the artcileExperience-based discovery (EBD) of aryl hydrazines as new scaffolds for the development of LSD1/KDM1A inhibitors, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is European Journal of Medicinal Chemistry (2019), 432-444, database is CAplus and MEDLINE.

Phenelzine was first employed to design new aryl hydrazine-based LSD1 inhibitors based on the experience-based discovery (EBD) strategy. Among these compounds, D8 potently inhibited LSD1 (IC₅₀ = 882.30 nM) in a reversible manner. Compound D8 was selective to LSD1 over MAO-A/B and showed H3K4me2 competitive binding to LSD1. The interaction between H3K4me2 and LSD1 was also confirmed by the Co-IP assay. In LSD1 overexpressed A549 cells, compound D8 dose-dependently induced accumulation of LSD1 substrates H3K4me1/2 and H3K9me1/2, showed cellular target engagement to LSD1 and significantly inhibited cell migration of A549 cells. Docking studies suggested that compound D8 occupied the peptide binding region and therefore blocked the access of the peptide substrate to the FAD, finally leading to the demethylase activity inhibition of LSD1. The findings indicate that aryl hydrazines are new scaffolds for the design of LSD1 inhibitors, the identification of D8 provides further evidence for our previously proposed general principle that fused heterocycles with an amine group are potentially active toward LSD1 by competitive binding to LSD1 with H3 peptide substrates.

European Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Luan, Feng published the artcileEstimation of the toxicity of different substituted aromatic compounds to the aquatic ciliate Tetrahymena pyriformis by QSAR approach, Application In Synthesis of 350-30-1, the publication is Molecules (2018), 23(5), 1002/1-1002/16, database is CAplus and MEDLINE.

Nowadays, quant. structure-activity relationship (QSAR) methods have been widely performed to predict the toxicity of compounds to organisms due to their simplicity, ease of implementation, and low hazards. In this study, to estimate the toxicities of substituted aromatic compounds to Tetrahymena pyriformis, the QSAR models were established by the multiple linear regression (MLR) and radial basis function neural network (RBFNN). Unlike other QSAR studies, according to the difference of functional groups (-NO₂, -X), the whole dataset was divided into three groups and further modeled sep. The statistical characteristics for the models are obtained as the following: MLR: n = 36, R² = 0.829, RMS (root mean square) = 0.192, RBFNN: n = 36, R² = 0.843, RMS = 0.167 for Group 1; MLR: n = 60, R² = 0.803, RMS = 0.222, RBFNN: n = 60, R² = 0.821, RMS = 0.193 for Group 2; MLR: n = 31 R² = 0.852, RMS = 0.192; RBFNN: n = 31, R² = 0.885, RMS = 0.163 for Group 3, resp. The results were within the acceptable range, and the models were found to be statistically robust with high external predictivity. Moreover, the models also gave some insight on those characteristics of the structures that most affect the toxicity.

Molecules published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application In Synthesis of 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Ming-Tsz published the artcileN-Heterocyclic carbene-palladium complexes for Suzuki-Miyaura coupling reaction with benzyl chloride and aromatic boronic acid leading to diarylmethanes, Name: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Applied Organometallic Chemistry (2019), 33(6), n/a, database is CAplus.

A family of N-heterocyclic carbene-palladium(II)-N,N-dimethylbenzylamine complexes ((NHC)LPdCl₂; L = N,N-dimethylbenzylamine) was synthesized as well as characterized using single-crystal X-ray diffraction and spectroscopic data. These complexes exhibited higher catalytic activities for Suzuki-Miyaura coupling of benzyl chlorides with arylboronic acids to afford diarylmethanes under milder conditions. Using the optimum conditions, the expected coupling products were obtained in moderate to high yields.

Applied Organometallic Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Name: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wu, Yu-Xi published the artcileCopper-Catalyzed Synthesis of O/N-Alkyl S-Phenyl Phenylcarbamothioates: An Odorless and Chemo-selective Chan-Lam Reaction to Construct C-S Bond, Name: 2-Chloro-4-methylphenylboronic acid, the publication is European Journal of Organic Chemistry (2022), 2022(32), e202200707, database is CAplus.

The O/N-alkyl-S-phenyl-(Z)-phenylcarbamothioates I [R¹ = H, 4-Me, 4-Cl, etc.; R² = OMe, OEt, OBu, N-morpholinyl; R³ = H, 3-Br, 4-Ph, etc.] were synthesized via copper-catalyzed chemoselective Chan-Lam reaction of odorless O/N-alkyl phenylthiocarbamates as sulfur sources and com. available phenylboronic acids as substrates. This methodol. featured simple performance, odorless sulfur source, easily available starting material, good functional group tolerance, and high chemo-selectivity to construct C-S bonds, thereby provided an alternative way to the synthesis of potentially bioactive compounds

European Journal of Organic Chemistry published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C7H3IN2O2, Name: 2-Chloro-4-methylphenylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Lijuan published the artcileDesign, synthesis, antiviral bioactivities and interaction mechanisms of penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold, Computed Properties of 620-20-2, the publication is BMC Chemistry (2019), 13(1), 1-12, database is CAplus and MEDLINE.

penta-1,4-diene-3-one oxime ether and quinazolin-4(3H)-one derivatives possess favorable agricultural activities. Aiming to discover novel mols. with highly-efficient agricultural activities, a series of penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold were synthesized and evaluated for their antiviral activities. Antiviral bioassays indicated that some title compounds exhibited significant antiviral activity against tobacco mosaic virus (TMV). In particular, compounds 8c, 8j and 8k possessed appreciable curative activities against TMV in vivo, with half-maximal effective concentration (EC50) values of 138.5, 132.9 and 125.6 μg/mL, resp., which are better than that of ningnanmycin (207.3 μg/mL). Furthermore, the microscale thermophoresis experiments (MST) on the interaction of compound 8k with TMV coat protein (TMV CP) showed 8k bound to TMV CP with a dissociation constant of 0.97 mmol/L. Docking studies provided further insights into the interaction of 8k with the Arg90 of TMV CP. Sixteen penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold were designed, synthesized, and their antiviral activities against TMV were evaluated. Antiviral bioassays indicated that some target compounds exhibited remarkable antiviral activities against TMV. Furthermore, through the MST and docking studies, we can speculate that 8k inhibited the virulence of TMV by binding Arg90 in TMV CP. These results indicated that this kind of penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold could be further studied as potential alternative templates in the search for novel antiviral agents.

BMC Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Computed Properties of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Yu, Yang published the artcileStudy on the toxicity of organic pollutants to seven aquatic organisms based on Abraham model, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Huanjing Huaxue (2015), 34(1), 23-36, database is CAplus.

The toxicities of 141 organic pollutants to seven aquatic organisms (Vibrio fischeri, River bacteria, Scenedesmus obliquus, Daphnia magna, Cyprinuscarpio, Pimephalespromelas, Poeciliareticulata) were analyzed. A linear relationship between the toxicity data of non-polar or polar narcotics and hydrophobicity (lgK_ow) was established for the seven species, resp. This relationship was interpreted based on the theor. consideration. Meanwhile, quant. structure-activity relationship (QSAR) studies were performed between the toxicities of seven aquatic organisms and Abraham descriptors. The mechanisms of action to seven species were analyzed theor. based on Abraham descriptors and model coefficients The principal component anal. carried out on the regression coefficients of Abraham models showed that there were interspecies similarities and differences between the species. In the same time, the interspecies correlation of organic pollutants to seven aquatic organisms was analyzed. The results showed that there were good interspecies corrections between fish species, marine bacterium and fish or daphnia magna and fish. It suggested that some compounds shared the same toxic mechanism of action between the species. However, poor interspecies relationships found between toxicities to algae and daphnia magna or fish suggested that compounds have different toxic mechanism of action between these species.

Huanjing Huaxue published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C17H16O2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liu, Jiwen published the artcileOptimization of GPR40 Agonists for Type 2 Diabetes, Recommanded Product: 4-Chloro-2-methylphenylboronic acid, the publication is ACS Medicinal Chemistry Letters (2014), 5(5), 517-521, database is CAplus and MEDLINE.

GPR40 (FFA1 and FFAR1) has gained significant interest as a target for the treatment of type 2 diabetes. TAK-875 (1), a GPR40 agonist, lowered Hb A1c (HbA1c) and lowered both postprandial and fasting blood glucose levels in type 2 diabetic patients in phase II clin. trials. We optimized phenylpropanoic acid derivatives as GPR40 agonists and identified AMG 837 (2) as a clin. candidate. Here we report our efforts in searching for structurally distinct back-ups for AMG 837. These efforts led to the identification of more polar GPR40 agonists, such as AM-4668 (10), that have improved potency, excellent pharmacokinetic properties across species, and min. central nervous system (CNS) penetration.

ACS Medicinal Chemistry Letters published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, Recommanded Product: 4-Chloro-2-methylphenylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

He, Renbao published the artcileSynthesis of 2,4,5-trifluorobenacetic acid, Quality Control of 243139-71-1, the publication is Huagong Shengchan Yu Jishu (2011), 18(3), 4-6, database is CAplus.

The compound 2,4,5-trifluorobenzeneacetic acid was synthesized from 1,2,4-trifluorobenzene via chloromethylation, carbonylation and hydrolyzation. Results showed that the optimization synthesis condition of 2,4,5-trifluorobenzyl chloride were as follows: m (C₆H₃F₃):m (paraformaldehyde)=1.0:0.875-0.865, reaction time 10 h. And the optimization synthesis condition of 2,4,5-trifluorobenzeneacetic acid was m (C₇H₄F₃Cl): m (cat)=1:0.275-0.25 and the reaction temperature was 40°C, under this condition, the total yield was above 60%, the purity was above 99%. The proportion of reactants and dosage of catalyst were discussed.

Huagong Shengchan Yu Jishu published new progress about 243139-71-1. 243139-71-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 2,4,5-Trifluorobenzyl chloride, and the molecular formula is C7H4ClF3, Quality Control of 243139-71-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics