Iron-Mediated Selective Sulfonylmethylation of Aniline Derivatives with p-Toluenesulfonylmethyl Isocyanide (TosMIC)

2021 ◽  
Author(s):  
Yigao Li ◽  
Xu-Yan Wang ◽  
Xiaohuang Ren ◽  
Baoheng Dou ◽  
Xinju Zhu ◽  
...  
Keyword(s):  
Aniline Derivatives

Quantitative Structure-activity Relationship Analysis for Predicting Lipophilicity of Aniline Derivatives (Including some Pharmaceutical Compounds)

2019 ◽  
Vol 22 (5) ◽  
pp. 333-345
Author(s):  
Morteza Rezaei ◽  
Esmat Mohammadinasab ◽  
Tahere Momeni Esfahani
Keyword(s):  
Density Functional ◽  
Pharmaceutical Compounds ◽  
Partial Least Square ◽  
Least Square ◽  
Basis Set ◽  
Van Der Waals Volume ◽  
Relationship Analysis ◽  
Aniline Derivatives ◽  
Aqueous Solvent ◽  
Qsar Models

Background: In this study, we used a hierarchical approach to develop quantitative structureactivity relationship (QSAR) models for modeling lipophilicity of a set of 81 aniline derivatives containing some pharmaceutical compounds. Objective: The multiple linear regression (MLR), principal component regression (PCR) and partial least square regression (PLSR) methods were utilized to construct QSAR models. Materials & Methods: Quantum mechanical calculations at the density functional theory level and 6- 311++G** basis set were carried out to obtain the optimized geometry and then, the comprehensive set of molecular descriptors was computed by using the Dragon software. Genetic algorithm (GA) was applied to select suitable descriptors which have the most correlation with lipophilicity of the studied compounds. Results: It was identified that such descriptors as Barysz matrix (SEigZ), hydrophilicity factor (Hy), Moriguchi octanol-water partition coefficient (MLOGP), electrophilicity (ω/eV) van der Waals volume (vWV) and lethal concentration (LC50/molkg-1) are the best descriptors for QSAR modeling. The high correlation coefficients and the low prediction errors for MLR, PCR and PLSR methods confirmed good predictability of the three models. Conclusion: In present study, the high correlation between experimental and predicted logP values of aniline derivatives indicated the validation and the good quality of the resulting three regression methods, but MLR regression procedure was a little better than the PCR and PLSR methods. It was concluded that the studied aniline derivatives are not hydrophilic compounds and this means these compounds hardly dissolve in water or an aqueous solvent.

SiO2-POCl2 nano-particles promoted the synthesis of novel structure of alkyl 2-oxo-3,4-diaryloxazolidine-5-carboxylate derivatives

2020 ◽  
Vol 17 ◽  
Author(s):  
Mehdi Abaszadeh ◽  
Seyyed Jalal Roudbaraki ◽  
Hossein Yarahmadi ◽  
Majid Ghashang
Keyword(s):  
Nano Particles ◽  
Methyl Ethyl ◽  
Aniline Derivatives ◽  
Ethyl Methyl ◽  
Novel Structure ◽  
Three Component Reaction ◽  
High Yields

: Silica-POCl2 was used as the promoter for the three-component reaction of ethyl/methyl 3-phenyl glycidate, aniline derivatives, and dimethylcarbonate, leads to the synthesis of methyl/ethyl 2-oxo-4-phenyl-3-aryloxazolidine-5-carboxylate derivatives. The desired product was obtained in high yields.

A cheap and efficient method for selective para-iodination of aniline derivatives

2005 ◽  
Vol 46 (32) ◽  
pp. 5421-5423 ◽  
Author(s):  
Cyrille Monnereau ◽  
Errol Blart ◽  
Fabrice Odobel
Keyword(s):  
Efficient Method ◽  
Aniline Derivatives

DNA-binding studies and antioxidant activities of two-, three- and four-coordinate silver(i) complexes containing bis(2-benzimidazolyl)aniline derivatives

2014 ◽  
Vol 38 (8) ◽  
pp. 3688-3698 ◽  
Author(s):  
Huilu Wu ◽  
Yanhui Zhang ◽  
Chengyong Chen ◽  
Jiawen Zhang ◽  
Yuchen Bai ◽  
...  
Keyword(s):  
Dna Binding ◽  
Hydroxyl Radical ◽  
Superoxide Radical ◽  
Antioxidant Activities ◽  
Binding Studies ◽  
Aniline Derivatives ◽  
Novel Structure ◽  
Dna Binding Studies

Three novel structure Ag(i) complexes have been synthesized and characterized. The three ligands and Ag(i) complexes bind to DNA in an intercalation mode. The Ag(i) complexes have stronger ability of antioxidation for hydroxyl radical and superoxide radical.

Regioselective nitration of anilines with Fe(NO3)3·9H2O as a promoter and a nitro source

2018 ◽  
Vol 16 (21) ◽  
pp. 3881-3884 ◽  
Author(s):  
Yang Gao ◽  
Yuanyou Mao ◽  
Biwei Zhang ◽  
Yingying Zhan ◽  
Yanping Huo
Keyword(s):  
Aniline Derivatives ◽  
Regioselective Nitration

A novel and efficient ortho-nitration reaction of aniline derivatives using the inexpensive and nontoxic Fe(NO3)3·9H2O as a promoter and a nitro source has been developed.

Aniline derivatives of tetrakis(hydromethyl)phosphonium chloride

1972 ◽  
Vol 37 (17) ◽  
pp. 2752-2755 ◽  
Author(s):  
Arlen W. Frank ◽  
George L. Drake
Keyword(s):  
Aniline Derivatives ◽  
Phosphonium Chloride ◽  
Derivatives Of

ChemInform Abstract: Catalytic Friedel-Crafts Acylation of Aniline Derivatives.

ChemInform ◽  
2010 ◽  
Vol 32 (21) ◽  
pp. no-no
Author(s):  
Shu Kobayashi ◽  
Ichiro Komoto ◽  
Jun-ichi Matsuo
Keyword(s):  
Aniline Derivatives
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