Facile access to pyrazolo[3,4-d][1,2,3]triazine-2-oxide-based heat-resistant energetic materials via a C-N bridging strategy

The growing demand for advanced heat-resistant energetic materials in deep mining and aerospace applications has driven significant research efforts. This study presents four novel energetic compounds ( NPX-18 to NPX-21 ) synthesized via an efficient C-N bridging strategy using nitrogen-rich fused-ring pyrazolo[3,4-d][1,2,3]triazine-2-oxide as the building blocks. Notably, NPX-21 crystallizes into an unprecedented 3D metal-organic framework (MOF) structure while demonstrating superior detonation performance ( D : 8332 m·s^-1) than that of TATB ( D : 8179 m·s^-1). Compounds NPX-18∼NPX-20 exhibit impressive thermal stability ( T _d: 365–374 °C) and good detonation performance (D : 7837–8133 m·s^-1). This study demonstrates the effectiveness of one-step C-N bridging strategy for constructing novel task-specific energetic materials based on extended polycyclic conjugation framework.