Abstract:Five novel 2-dinitromethyl-5-alkoxytetrazole compounds, 2-dinitromethyl-5-methoxytetrazole(DNMMOT), 2-dinitromethyl-5-ethoxytetrazole (DNMEOT), 2-dinitromethyl-5-isopropoxytetrazole (DNMPOT), 2-(2-dinitromethyl tetrazole-5-yloxy)ethanol (SDEH)and 1, 2-bis (2-dinitromethyl tetrazol-5-yloxy)ethane (DEH)were synthesized from the reaction of 2-dinitromethyl-5-nitrotetrazole (HDNMNT)with sodium alkoxide with yields of 91.6%, 92.1%, 91.70%, 31.7%, 57.4%, respectively. Their structures were characterized by IR, NMR, elemental analysis and HPLC-MS, and their detonation performances were predicted by B3LYB method. Results show that reaction mechanism is nucleophilic substitution between HDNMNT and sodium alkoxide. The detonation velocity and pressure of DEH estimated are 8676 m·s-1 and 34.39 GPa, which can be compared to RDX.