From N atom to C–NO2 group: Achieving a high energy density material with a “NH2–NO2–NH2” block

Developing energetic compounds with high performances and good molecular stabilities is considered difficult due to its inherent contradiction. In this work, the strategy for the conversion of an N atom to a C–NO2 group leading to a “NH2–NO2–NH2” block was described to improve the detonation properties and the thermal stability of an energetic compound simultaneously. Based on this strategy, the amino-nitro-amino-substituted nitramine 3 with a high density of 1.96 g cm−3 at room temperature was synthesized. In addition, another amino-nitro-substituted nitramine 9 was also prepared. The structures of 3 and 9 were confirmed by single-crystal X-ray diffraction. Compound 3 exhibits high detonation performances (VD: 8953 m s−1, P: 35.3 GPa) and a good thermal stability (Td: 223 °C), which are superior to RDX, suggesting its great application potentials.