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

Autor: DUAN Bing-hui, LIU Ning, WANG Bo-zhou, LU Xian-ming, MO Hong-chang, XU Ming-hui, SHU Yuan-jie
Zdroj: Chinese Journal of Explosives & Propellants; 2019, Vol. 42 Issue 2, p114-119, 6p
Abstrakt: H-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, H NMR, C 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/cm, 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index