Synthesis and Theoretical Calculation of Properties for 7H-Trifurazano [3,4-b:3',4'-f:3",4"-d]azepine and Its Novel Energetic Derivatives

被引：0
|
作者：
Duan B.-H. [1 ]
Liu N. [1 ]
Wang B.-Z. [1 ]
Lu X.-M. [1 ]
Mo H.-C. [1 ]
Xu M.-H. [1 ]
Shu Y.-J. [1 ]
机构：
[1] Xi'an Modern Chemistry Research Institute, Xi'an
来源：
Huozhayao Xuebao/Chinese Journal of Explosives and Propellants | 2019年 / 42卷 / 02期
关键词：
3,4-bis(3'-nitrofurazano-4'-yl)furoxan (DNTF); 7H-trifurazano[3,4-b:3',4'-f:3",4"-d]azepine (HTFAZ); Energetic derivatives; Organic chemistry;
D O I：
10.14077/j.issn.1007-7812.2019.02.002
中图分类号：
学科分类号：
摘要：
7H-Trifurazano[3,4-b:3',4'-f:3",4"-d]azepine (HTFAZ) was synthesized via the reactions of nucleophilic substitution, cyclization and reduction using 3,4-bis(3'-nitrofurazano-4'-yl)furoxan (DNTF) as starting material. Based on the reactivity of HTFAZ, the two novel energetic compounds 7-(2,4,6-trinitrophenyl)-trifurazano[3,4-b:3',4'-f:3",4"-d]azepine (compound 1) and 7-(2,4,6-trinitro-3,5-diaminophenyl)-trifurazano[3,4-b:3',4'-f:3",4"-d]azepine (compound 2) were self-designed and synthesized. The structures of the target compounds were characterized by IR, 1H NMR, 13C NMR and elemental analysis. The thermal behaviors of compounds 1 and compound 2 were investigated by DSC and the detonation performances of the two compounds were predicted by Kamlet-Jacobs equations. The results show that the yield of HTFAZ reaches 63.2% after improving synthetic route. The thermal decomposition temperatures of compound 1 and compound 2 are 371.7℃ and 296.3℃, respectively, showing good thermal stability. The density of compound 1 is 1.90g/cm3, the peak temperature of thermal decomposition is 371.7℃, the theoretical detonation velocity is 8033m/s and theoretical detonation pressure is 30.11GPa, The detonation performance of compound 1 is better than that of TNT, and the density and thermal stability are greater than those of TNT and RDX. © 2019, Editorial Board of Journal of Explosives & Propellants. All right reserved.
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页码：114 / 119
页数：5
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