Category: 350-30-1

Yang, Fang published the artcileHeterogeneously catalyzed one-pot synthesis of N-alkyl anilines from nitroaromatics by assembled Pt₃Sn/Al₂O₃ catalyst, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is Wuli Huaxue Xuebao (2012), 28(9), 2141-2147, database is CAplus.

N-alkyl anilines were obtained from nitroaroms. by a one-pot method using assembled Pt₃Sn/Al₂O₃ catalyst for heterogeneous in situ hydrogenation in a continuous-flow fixed-bed reactor. At the optimum reaction conditions (503 K, liquid hourly space velocity (LHSV) of 7.5 h^-1, 5% (volume fraction) water, 1% (mass fraction) Pt₃Sn/Al₂O₃ catalyst), nitrobenzene conversion was 100%, with a total N-Et and N,N-di-Et aniline yield of 98.2%. Moreover, the Pt₃Sn/Al₂O₃ catalyst had a great conjoint effect for all in situ hydrogenation reactions for N-alkylation. High yields of N-alkylation products were obtained in aliphatic alc./water systems for 14 selected nitroaroms.

Wuli Huaxue Xuebao 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 C15H14N2, Safety of 3-Chloro-4-fluoronitrobenzene.

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

Wang, Dawei published the artcilePalladium-catalysed and phosphine-promoted synthesis of diaryl ethers through self-coupling, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Chemical Research (2016), 40(11), 691-693, database is CAplus.

An efficient, palladium acetate-catalyzed, tributylphosphine-promoted direct synthesis of sym. diaryl ethers through the self coupling of aryl fluorides was developed with K₂CO₃/ZrO₂ as a base. This provided an alternative method to prepare aromatic polymers, important synthetic intermediates and natural products for use in the field of pharmaceuticals and industrial materials.

Journal of Chemical Research 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 C8H8O2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Zhu, Jing published the artcileLigand-based substituent-anchoring design of selective receptor-interacting protein kinase 1 necroptosis inhibitors for ulcerative colitis therapy, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Acta Pharmaceutica Sinica B (2021), 11(10), 3193-3205, database is CAplus and MEDLINE.

Receptor-interacting protein (RIP) kinase 1 is involved in immune-mediated inflammatory diseases including ulcerative colitis (UC) by regulating necroptosis and inflammation. Our group previously identified TAK-632 (5) as an effective necroptosis inhibitor by dual-targeting RIP1 and RIP3. In this study, using ligand-based substituent-anchoring design strategy, we focused on the benzothiazole ring to obtain a series of TAK-632 analogs showing significantly improving on the anti-necroptosis activity and RIP1 selectivity over RIP3. Among them, a conformational constrained fluorine-substituted derivative (25) exhibited 333-fold selectivity for RIP1 (K_d = 15 nmol/L) than RIP3 (K_d > 5000 nmol/L). This compound showed highly potent activity against cell necroptosis (EC₅₀ = 8 nmol/L) and systemic inflammatory response syndrome (SIRS) induced by TNF-α in vivo. Especially, it was able to exhibit remarkable anti-inflammatory treatment efficacy in a DSS-induced mouse model of UC. Taken together, the highly potent, selective, orally active anti-necroptosis inhibitor represents promising candidate for clin. treatment of UC.

Acta Pharmaceutica Sinica B 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 C9H22OSi, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Xu, Zhou published the artcileDesign and synthesis of a novel isoxazole derivative, Application In Synthesis of 350-30-1, the publication is Xuzhou Yixueyuan Xuebao (2011), 31(11), 728-730, database is CAplus.

To design and develop a new method for the synthesis of a novel isoxazole derivative I which may had potential bactericidal activity, the product was synthesized with six steps in gram scales using benzaldehyde, 4-fluoro-3-chloronitrobenzene et al as starting materials. The structure of the product was confirmed by ¹H NMR, HRMS and IR spectra. A mild route to synthesize an isoxazole derivative with 35% total yield was reported.

Xuzhou Yixueyuan Xuebao 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 C7H10O4, Application In Synthesis of 350-30-1.

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

Bhhatarai, Barun published the artcileEvaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation, Formula: C6H3ClFNO2, the publication is Chemical Research in Toxicology (2016), 29(5), 810-822, database is CAplus and MEDLINE.

Assessment of ocular irritation is an essential component of any risk assessment. A number of (Q)SARs and expert systems have been developed and are described in the literature. Here, the authors focus on three in silico models (TOPKAT, BfR rulebase implemented in Toxtree, and Derek Nexus) and evaluate their performance using 1644 inhouse and 123 European Center for Toxicol. and Ecotoxicol. of Chems. (ECETOC) compounds with existing in vivo ocular irritation classification data. Overall, the in silico models performed poorly. The best consensus predictions of severe ocular irritants were 52 and 65% for the inhouse and ECETOC compounds, resp. The prediction performance was improved by designing a knowledge-based chem. profiling framework that incorporated physicochem. properties and electrophilic reactivity mechanisms. The utility of the framework was assessed by applying it to the same test sets and three addnl. publicly available in vitro irritation data sets. The prediction of severe ocular irritants was improved to 73-77% if compounds were filtered on the basis of AlogP_MR (hydrophobicity with molar refractivity). The predictivity increased to 74-80% for compounds capable of preferentially undergoing hard electrophilic reactions, such as Schiff base formation and acylation. This research highlights the need for reliable ocular irritation models to be developed that take into account mechanisms of action and individual structural classes. It also demonstrates the value of profiling compounds with respect to their chem. reactivity and physicochem. properties that, in combination with existing models, results in better predictions for severe irritants.

Chemical Research in Toxicology 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, Formula: C6H3ClFNO2.

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

Sorribes, Ivan published the artcileChemoselective Transfer Hydrogenation to Nitroarenes Mediated by Cubane-Type Mo₃S₄ Cluster Catalysts, SDS of cas: 350-30-1, the publication is Angewandte Chemie, International Edition (2012), 51(31), 7794-7798, S7794/1-S7794/4, database is CAplus and MEDLINE.

Cubane-type Mo₃S₄ cluster compounds catalyzed transfer hydrogenation to nitro arenes or nitro heteroarenes to give aromatic amines. E.g., in presence of formic acid and NEt₃ as the reducing agent, [Mo₃S₄H₃(dmpe)₂]BPh₄ catalyzed the transfer hydrogenation of 4-O₂NC₆H₄NH₂ to give 90% p-phenylenediamine.

Angewandte Chemie, International Edition 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 C7H6Cl2O, SDS of cas: 350-30-1.

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

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

Bao, Ting published the artcileSynthesis and structure of lateral halogenated V-shaped liquid crystal molecules based on a 1,7-naphthalene central core and alkylthio tails, Synthetic Route of 350-30-1, the publication is Liquid Crystals (2014), 41(12), 1687-1695, database is CAplus.

A series of small angle bent-core (V-shaped) mesogens carrying 1,7-naphthalene as a central core linked with lateral halogenated (chlorinated or fluorinated) Schiff-base side wings and alkylthio terminal tails of variable carbon number (n = 12, 16) was synthesized in order to reduce the transition temperature and improve the phase stability of bent-core liquid crystal mols. Differential scanning calorimetry (DSC), polarising optical microscopy (POM), small-angle X-ray scattering system (SAXS) and two-dimensional X-ray diffractometer were applied to ascertain the mesomorphic structure and phase transition temperatures of the compounds The results confirm that all the mols. show thermotropic liquid crystalline behavior and exhibit hexagonal columnar phase (Colh) in a certain temperature range. Compared with the homologous compounds without lateral halogen, the cleaning point temperature of lateral halogenated V-shaped compounds generally decrease and the Colh phase ranges are more extensive. The influence of lateral chlorine on the cleaning point temperature is more obvious, as well as the effect of lateral fluorine on the range of Colh phase.

Liquid Crystals 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, Synthetic Route of 350-30-1.

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

Wu, Yun published the artcileDiscovery of 2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide (CHMFL-KIT-64) as a Novel Orally Available Potent Inhibitor against Broad-Spectrum Mutants of c-KIT Kinase for Gastrointestinal Stromal Tumors, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Medicinal Chemistry (2019), 62(13), 6083-6101, database is CAplus and MEDLINE.

Starting from our previously developed c-KIT kinase inhibitor CHMFL-KIT-8140, through a type II kinase inhibitor binding element hybrid design approach, we discovered a novel c-KIT kinase inhibitor compound 18 (CHMFL-KIT-64), which is potent against c-KIT wt and a broad spectrum of drug-resistant mutants with improved bioavailability. 18 exhibits single-digit nM potency against c-KIT kinase and c-KIT T670I mutants in the biochem. assay and displays great potencies against most of the gain-of-function mutations in the juxtamembrane domain, drug-resistant mutations in the ATP binding pocket (except V654A), and activation loops (except D816V). In addition, 18 exhibits a good in vivo pharmacokinetic (PK) profile in different species including mice, rats, and dogs. It also displays good in vivo antitumor efficacy in the c-KIT T670I, D820G, and Y823D mutant-mediated mice models as well as in the c-KIT wt patient primary cells which are known to be imatinib-resistant. The potent activity against a broad spectrum of clin. important c-KIT mutants combining the good in vivo PK/pharmacodynamic properties of 18 indicates that it might be a new potential therapeutic candidate for gastrointestinal stromal tumors.

Journal of Medicinal Chemistry 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 C7H15NO, Safety of 3-Chloro-4-fluoronitrobenzene.

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