Constructing heat-resistant fused heterocyclic compounds is increasingly fascinating in the field of energetic materials due to their excellent energy, high thermal stability, and low sensitivity, as well as high density in general. However, complicated synthetic methods restricted their applications. This study synthesized three novel heat-resistant energetic materials based on the azole-6-nitro-1,5-apyrimidine using a straightforward facile method in aqueous environment. The target compound 6 exhibited superior physicochemical and energetic performances ( ρ =1.76 g·cm -3 , T d =316 °C, D =7824m·s -1 , p =23.9 GPa) to those of the conventional heat-resistant explosive HNS. These results confirm that eco-friendly synthetic strategies constitute a viable and effective approach for the development of advanced energetic materials. Their excellent physicochemical profiles highlight these derivatives as promising candidates for advanced weapon-oriented heat-resistant energetic material applications. Azole-6-nitro-1,5- a pyrimidine, a promising energetic building block, was rationally designed and efficiently synthesized via an aqueous synthetic route. Employing this versatile precursor, three novel energetic compounds were successfully prepared, which exhibit superior insensitivity and thermal stability comparable to that of hexanitrostilbene (HNS)—a benchmark heat-resistant explosive. Their excellent physicochemical profiles highlight these derivatives as promising candidates for advanced weapon-oriented heat-resistant energetic material applications. • One-step aqueous synthesis of azole-6-nitro-1,5- a pyrimidine towards advanced heat-resistant and low sensitive energetic materials was developed. • Heat-resistant energetic compound 6 exhibits comparable thermal stability and energetic properties to those of HNS. • IRI, and Hirshfeld surfaces were performed to explore the relationship between structure and properties.
Sun et al. (Fri,) studied this question.