Synthesis of Two Highly Explosophore-Functionalized Compounds Based on 9-Azatricyclo[4.2.1.0 ³,⁷ ]nonane Backbone

Organic cage-like frameworks are promising candidates for the development of high-energy-density compounds (HEDCs) due to some unique features. In this work, two novel cage-like energetic compounds based on a highly functionalized 9-azatricyclo[4.2.1.0 3,7 ]nonane backbone were synthesized. Among these, 2,2,5,5,9-pentanitro-9-azatricyclo[4.2.1.0 3,7 ]nonane-4,8-diyl dinitrate possesses an elevated crystal density of 1.90 g·cm –3, along with outstanding theoretical detonation performance ( P = 36.95 GPa, D = 8957 m·s –1 ). As a promising HEDC, it also demonstrates satisfactory thermal stability as confirmed by differential scanning calorimetry (DSC) and thermogravimetric (TG) analysis. Such observations suggest that the 9-azatricyclo[4.2.1.0 3,7 ]nonane framework holds great possibility for the development of novel HEDCs featuring outstanding performance.