3-(4-硝基吡唑-1-基)-7-(N-甲基)硝胺基-[1,2,4]三唑[1,5-b][1,2,4,5]四嗪的制备与性能OA

High-nitrogen polycyclic frameworks,owing to their high nitrogen content and favorable oxygen balance,have at-tracted considerable attention as promising scaffolds for the development of novel high-energy energetic compounds.A novel high-nitrogen polycyclic nitramine energetic compound,3-(4-nitropyrazol-1-yl)-7-(N-methylnitramino)-[1,2,4]triazolo[1,5-b][1,2,4,5]tetrazine(compound 4),was synthesized via a three-step reaction based on the[1,2,4]triazolo[1,5-b][1,2,4,5]tetra-zine scaffold.The chemical structure of compound 4 was fully characterized by nuclear magnetic resonance spectroscopy(NMR),high-resolution mass spectrometry(HRMS),and infrared spectroscopy(IR).Single crystals suitable for X-ray diffraction were ob-tained by slow solvent evaporation,and the crystal structure was determined by single-crystal X-ray diffraction.Results show that compound 4 crystallizes in the orthorhombic crystal system with the Pbca space group and exhibits a layered stacking structure with a room-temperature density of 1.701 g·cm-3.Thermogravimetry-differential scanning calorimetry(TG-DSC)analysis reveals that the compound possesses a thermal decomposition temperature of 167℃.Calculations using the EXPLO5 software demon-strate that its theoretical detonation velocity and detonation pressure reach 8078 m·s-1 and 25.2 GPa,respectively.Additionally,the impact and friction sensitivities of compound 4,determined by the BAM standard method,are 9 J and 180 N,respectively.