N,N'-二(三硝基乙基)-5,6-二氨基呋咱并[3,4-b]吡嗪(DNFP)的合成与性能  

Synthesis and Properities of 5,6-Di( trinitroethylamino ) furazao[3,4-b]pyrazine

作　　者：李敏霞[1] 伍波[1] 杨红伟[1] 吕春绪[1] 程广斌[1] 

机构地区：[1]南京理工大学化工学院,江苏南京210094

出　　处：《含能材料》2015年第2期130-134,共5页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金项目(21376121)

摘　　要：以5,6-二羟基呋咱并[3,4-b]吡嗪(DHFP)为原料,经氯代、胺化、N-羟甲基化反应、缩合得到N,N'-二(三硝基乙基)-5,6-二氨基呋咱并[3,4-b]吡嗪(DNFP),产率为31%。采用IR、1H NMR、13C NMR、元素分析对其结构进行了表征。探讨了DNFP的合成反应机理及反应条件。采用密度泛函理论B3LYP/6-311G(d,p)方法计算了DNFP的生成焓。同时利用Kamlet-Jacobs公式预测其爆热,爆速,爆压分别为:6714 J·g-1,8.91 km·s-1,36 GPa。5,6-Di（trinitroethylamino） furazano [ 3, 4-b ] pyrazine （DNFP） was synthesized from 5,6-dihydroxyfura-zano [ 3, 4-b ] pyrazine by four steps reactions including chlorination, amination, N-hydroxymethyl and condensation reaction in a yield of 31%. And its structure was determined by IR,1^H NMR, 13^C NMR and elemental analysis. The reaction condition and mechanism of DNFP were studied. The heat of formation of DNFP was calculated by DFT/B3LYP methods, and other detonation performances of DNFP were predicted by Kamlet-Jacobs formula. Results show that its heat of detonation is 6714 J · g^-1 , detonation velocity 8.91 km · s^-1, and detonation pressure 36 GPa.

关 键 词：吡嗪 三硝基乙基 爆轰性能 N N'-二(三硝基乙基)-5 6-二氨基呋咱并[3 4-b]吡嗪(DNFP) 

分 类 号：TQ560.1[化学工程—炸药化工]