Synthesis and some structural characteristics of caffeine and isocaffeine homologs
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As a result of methylation and subsequent catalytic debenzylation, 1-benzylimidazo[4,5-e][1,4]diazepine was converted to the corresponding imidazo[5,4-e][1,4]diazepine. Thermodynamic parameters of inversion in isomeric imidazo[4,5-e]- and imidazo[5,4-e][1,4]diazepines were determined by dynamic 1HNMR. The total energy of the compounds being compared was calculated by molecular-mechanics methods.
KeywordsMethylation Organic Chemistry Total Energy Structural Characteristic Caffeine
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