耐热不敏感含能分子2-氨基-3,6-二硝基吡唑并[1,5-a]嘧啶的一步合成及性能OA

Nitrogen-rich fused-ring energetic molecules have gained extensive attention in the field of energetic material due to their high nitrogen content,high enthalpy of formation,and extensive conjugated structures,which enable a better balance be-tween energy and safety.Nevertheless,their synthetic routes are often relatively cumbersome,involving skeleton construction and functional group introduction.In this work,starting from commercially available 4-nitro-1H-pyrazole-3,5-diamine and sodi-um nitromalonaldehyde,the fused bicyclic energetic molecule 2-amino-3,6-dinitropyrazolo[1,5-a]pyrimidine(1)was synthe-sized in a one-step reaction with a high yield of 89.3%.The target compound was characterized by nuclear magnetic resonance,infrared spectroscopy,and single-crystal X-ray diffraction.Compound 1 crystallizes in the monoclinic space group C2/c with a measured density of 1.774 g·cm-3 at room temperature.Its detonation performance was calculated by EXPLO5 software,its ther-mal decomposition temperature and mechanical sensitivity were evaluated by thermogravimetry-differential scanning calorimetry and impact/friction sensitivity tests.The results indicates that compound 1 possesses an onset decomposition temperature of 303℃,based on measured density,a calculated detonation velocity of 7680 m·s-1,and a detonation pressure of 22.7 GPa.Its impact sensitivity is better than 60 J,and friction sensitivity is greater than 360 N,demonstrating that it is a thermally stable and insensitive explosive molecule with potential application value.