［1，2，5］噁二唑［3，4-b］吡嗪-5，6-（1H，3H）-二酮及其含能盐的合成及性能

以3,4?二氨基呋咱和草酸为原料经酰胺缩合反应一步法直接合成了1,2,5]噁二唑3,4?b]吡嗪?5,6?(1H,3H)?二酮(1),并进一步与碱反应合成了该化合物的离子盐2~5。通过红外、核磁共振氢谱和碳谱对化合物1~5进行了结构表征;并通过X?射线单晶衍射对化合物1和5的单晶结构进一步表征;利用差示扫描量热法(DSC)研究了化合物1~5的热行为,化合物1~5的热分解温度在210.5~313.5℃之间;采用Gaussian 09程序和Explo 5(v.6.01)评估了化合物1~5的爆轰性能,计算爆速在7327~8555 m·s^-1之间,爆压在20.5~30.6 GPa范围内;利用BAM感度测试仪进行感度测试,化合物1的撞击感度为27 J,摩擦感度为280 N,其胺盐、肼盐、羟胺盐的撞击感度均大于40 J,摩擦感度均为360 N,钠盐的撞击感度为7 J,摩擦感度为120 N。其中肼盐和羟胺盐有望作为新型的高能低感含能材料。

Synthesis and Performance of[1,2,5]Oxadiazolo[3,4-b]Pyrazine-5,6-(1H,3H)-dione and its Energetic Salts

1,2,5]oxadiazole3,4?b]pyrazine?5,6?(1H,3H)?dione(1)was synthesized directly from 3,4?diaminofurazan and oxalic acid by one?step amide condensation reaction,and the corresponding ionic salts 2-5 were further synthesized by reaction with base.The structures of compounds 1-5 were characterized by infrared spectrum(IR),1H and 13C nuclear magnetic resonance(NMR).The structures of compounds 1 and 5 were further characterized by X?ray single crystal diffraction.The thermal behaviors of compounds 1-5 were investigated based on differential scanning calorimetry(DSC)measurement.The thermal decomposition temperatures of compounds 1-5 ranged from 210.5℃to 313.5℃.The physicochemical properties and detonation performances of compounds 1-5 were estimated by Gaussian 09 program and Explo 5(v.6.01).The calculated detonation velocities of compounds 1-5 ranged from 7327 m·s^-1 to 8555 m·s^-1,and the detonation pressures ranged from 20.5 GPa to 30.6 GPa.The impact and friction sensitivities were determined by using BAM technology.The impact sensitivity of compound 1 is 27 J and the friction sensitivity is 280 N.The impact sensitivities of compounds 2-4 are all greater than 40 J and the friction sensitivities of 2-4 are 360 N.The impact sensitivity of sodium salt is 7 J and the friction sensitivity is 120 N.Among them,energetic salts 3 and 4 are expected to be new energetic materials with high energy and low sensitivity.