Theoretical study of N-(o-aminophenyl amic) acid cyclodehydration to 1,2-benzoilenebenzimidazole as a model reaction of ladder polypyrrones synthesis:: thermodynamic and thermochemical data

被引：0

作者：

Salcedo, R ^{[1
]}

Valle, L ^{[1
]}

Alexandrova, L ^{[1
]}

Likhatchev, D ^{[1
]}

机构：

[1] Natl Autonomous Univ Mexico 2, Deleg Coyoacan 04510, Mexico

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1999年 / 463卷 / 03期

关键词：

polyimidazopyrrolones; thermodynamic simulation; model reaction;

D O I：

暂无

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The mechanism of polyimidazopyrrolones formation was studied via thermodynamic simulation of N-(o-aminophenyl)amic acid cyclodehydration to 1,2-benzoylenebezimidazole. It was found that 2-(o-carboxyphenyl)benzimidazole and N-(o-aminophenyl)phthalimide were the most thermodynamically favorable intermediates of this process. The thermodynamic possibility of 1,2-benzoylenebezimidazole formation from N-(o-acetamidophenyl)phthalimide and N-(o-trifluoroacetamidoghenyl)isophthalimide was also evaluated using the same method. All thermodynamic values were obtained from semiempirical quantum mechanics calculations. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：231 / 235

页数：5