Abstract: Starting from hexabenzylhexaazaisowurtzitane(HBIW), four N-substituted hexaazaisowurtzitanes were synthesized via selective and catalytic hydrogenolysis debenzylation by using Pd(OH)₂/C as catalyst and under mild reaction conditions. In the debenzylation process, partial or all benzyl groups were displaced by other functional groups, such as CH₃CO_, CHO_ and C₂H₅_ etc.. The prepared compounds are all cage heterocyclic ones with high strain and can be used as precusors for synthesis of hexanitrohexaazaisowurtzitane(HNIW). HNIW is the most attractive high energy density compound(HEDC) with most promising application in military field.

Key words: Heterocyclic compound, Hexaazaisowurtzitane derivative, Synthesis