Theoretical study of N-(o-aminophenyl amic) acid cyclodehydration to 1,2-benzoilenebenzimidazoleas a model reaction of ladder polypyrrones synthesis: Thermodynamic and thermochemical data
Por:
Salcedo R., Valle L., Alexandrova L., Likhatchev D.
Publicada:
1 ene 1999
Resumen:
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-trifluoroacetamidophenyl)isophthalimide was also evaluated using the same method. All thermodynamic values were obtained from semiempirical quantum mechanics calculations.
Filiaciones:
Salcedo R.:
II-UNAM, Apdo. Postal 70-360, 04510 Deleg., Coyoacan, Mexico
Valle L.:
II-UNAM, Apdo. Postal 70-360, 04510 Deleg., Coyoacan, Mexico
Alexandrova L.:
II-UNAM, Apdo. Postal 70-360, 04510 Deleg., Coyoacan, Mexico
Likhatchev D.:
II-UNAM, Apdo. Postal 70-360, 04510 Deleg., Coyoacan, Mexico
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