Abstract

An economically and environmentally sustainable protocol has been proposed for the synthesis of N-[4-(1H-benzazole-2-yl)phenyl]phthalimides via stepwise and tandem reactions of phthalic anhydride, 4-aminobenzaldehyde, and o-phenylenediamine, N-methyl-o-phenylenediamine, 2-aminobenzenethiol, or 2-aminophenol in PEG-600 for 2–3 h in the presence of boric acid as catalyst. Binding of the synthesized molecules to the tubulin protein (PDB ID: 5CA1) was simulated using AutoDock. All molecules showed good binding energies as compared to Nocodazole. This simple methodology could be useful for environmentally sustainable chemistry with the advantages including shorter reaction time, nontoxic and nonhazardous catalyst, and mild conditions.

中文翻译：

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PEG-600介导的N-[4-（1H-苯并唑-2-基）苯基]邻苯二甲酰亚胺的高效且环境可持续的合成

摘要

一个经济上和环境上可持续的协议已经提出了用于合成ñ - [4-（1 ħ -benzazole -2-基）苯基]苯邻二甲酰亚胺通过逐步和邻苯二甲酸酐，4-氨基苯甲醛，串联的反应和ø苯二胺，Ñ -甲基-o在硼酸作为催化剂的情况下，在PEG-600中将-苯二胺，2-氨基苯硫醇或2-氨基苯酚进行2-3小时。使用AutoDock模拟了合成分子与微管蛋白的结合（PDB ID：5CA1）。与诺考达唑相比，所有分子均显示出良好的结合能。这种简单的方法可能对环境可持续的化学有用，其优点包括反应时间短，无毒无害的催化剂以及温和的条件。