以二氨基呋咱(DAF)为底物,与乙二醛进行醛胺缩合反应,合成4a,5,9a,10-四氢-4H,9H-[1,2,5]噁二唑[3',4':5,6[吡嗪[2,3-b][1,2,5]噁二唑[3,4-e]吡嗪(化合物2),再与甲醛加成,得到1,2,5-恶二唑[3',4':5,6]吡嗪-1,2,5-恶二唑吡嗪-4,9-二甲醇(化合物3),化合物3在硝酸/乙酸酐体系中硝化,生成具有高稳定性的稠环结构5,10-二硝基甲基-1,2,5噁二唑并[3',4':5,6]吡嗪并-1,2,5-噁二唑并吡嗪-4,9-二亚甲基二乙酸酯(化合物4); 用 X-射线单晶衍射仪对其单晶结构进行扫描,用差示扫描量热仪测试其热稳定性,用BAM 撞击感度仪和 BAM 摩擦感度测试仪测试其机械感度,用EXPLO5(V6.02)软件计算化合物的爆轰性能。结果 表明,化合物4属于单斜晶系,空间群为C2/c,晶体密度为1.72g/cm3(173K),热分解温度为210℃,撞击感度为20J,摩擦感度为270N,理论爆压为20.0GPa,理论爆速为7160m/s,综合性能优于TNT,是一种有应用潜力的新型含能材料。
4a,5,9a,10-Tetrahydro-4H,9H-[1,2,5]oxadiazole[3',4:5,6]pyrazine[2,3-b][1,2,5]oxadiazole[3,4-e]pyrazine(compound 2)was synthesized via aldol ammonia condensation reaction from diaminofurazan(DAF)and glyoxal. The addition reaction of compound 2 with formaldehyde was used to synthesis 1,2,5-oxadiazolo[3,4:5,6]pyrazino-1,2,5-oxadiazolopyrazine-4,9-dimethanol(compound 3). Then compound 3 was treated with HNO3/Ac2O to afford 5,10-dinitromethyl-1,2,5-oxadiazolo[3',4':5,6] pyrazino-1,2,5-oxadiazolopyrazine-4,9-dimethyl diacetate(compound 4). The single crystal structure of compound 4 was determined by single crystal X-ray diffractometer. Its thermal stability was determined by differential scanning calorimetry(DSC). The mechanical sensitivity was measured through a BAM friction tester. The detonation performance was calculated with EXPLO5(V6.02)software. The results show that compound 4 crystallizes in the monoclinic space group C2/c with a density of 1.72g/cm3. The thermal decomposition temperature of compound 4 is 210℃. It also has an impact sensitivity of 20J, friction sensitivity of 270N, theoretical detonation pressure of 20.0GPa and theoretical detonation velocity of 7160m/s. Compound 4 has better comprehensive properties than TNT and is a new energetic material with potential application.
