Quantum chemical study of the mechanism of C-mtroimidazo4,5-ebenzo1,2-c;3,4-c'difuroxane formation

摘要

The possible mechanisms of nitration reaction of imidazo[4,5-e]benzo[1,2-c;3,4-c']difuroxane have been investigated using the quantum chemistry methods. The energetically more preferable pathway of synthesis for the new high energetic compound C-nitroimidazo[4,5-e]benzo[1,2-c;3,4-c']difuroxane has been found out. The synthesis of the target compound has been made in accordance with the proposed mechanism.