6⁃硝基⁃2⁃氧杂⁃6⁃氮杂金刚烷⁃4,8⁃二醇二硝酸酯的合成及表征  

Synthesis and Characterization of 6⁃nitro⁃2⁃oxa⁃6⁃azaadamantane⁃4,8⁃diol dinitrate

作　　者：刘运芝 蔡荣斌 侯天骄 王桂香[1] 罗军[1] LIU Yun-zhi;CAI Rong-bin;HOU Tian-jiao;WANG Gui-xiang;LUO Jun(School of Chemical Engineering,Nanjing University of Science and Technology,Nanjing 210094,China;College of Chemical Engineering,Nanjing Tech University,Nanjing 211816,China)

机构地区：[1]南京理工大学化工学院,江苏南京210094 [2]南京工业大学化工学院,江苏南京211816

出　　处：《含能材料》2023年第4期325-331,共7页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金资助(22075144)。

摘　　要：以1,5⁃环辛二烯为原料,经氧化环合、O⁃酰化、消除、环氧化、氨解和硝化等步骤,合成了一种新型笼状含能化合物6⁃硝基⁃2⁃氧杂⁃6⁃氮杂金刚烷⁃4,8⁃二醇二硝酸酯。利用X射线单晶衍射技术获得了6⁃硝基⁃2⁃氧杂⁃6⁃氮杂金刚烷⁃4,8⁃二醇二硝酸酯的单晶结构;采用核磁、红外以及元素分析对其结构进行了表征;采用热重分析(TG)和差示扫描量热法(DSC)研究了目标化合物的热稳定性;经密度泛函理论研究了目标化合物的爆轰性能。结果表明,其密度为1.75 g·cm^(-3),热分解放热峰值为184℃,爆速7730 m·s^(-1),爆压为26.07 GPa。A novel cage⁃like energetic compound,6⁃nitro⁃2⁃oxa⁃6⁃azaadamantane⁃4,8⁃diol dinitrate,was synthesized from 1,5⁃cyclooctadiene via oxidative cyclization,O⁃acylation,elimination,epoxidation,aminolysis and nitration with an overall yield of 20.7%.The single crystal structure of 6⁃nitro⁃2⁃oxa⁃6⁃azadamantane⁃4,8⁃diol dinitrate was obtained by X⁃ray single crys⁃tal diffraction.Its structure was characterized using NMR,IR,and elemental analysis.Thermogravimetric analysis(TG)and dif⁃ferential scanning calorimetry(DSC)were used to study the thermal stability of the target compound.Density functional theory method was used to study the detonation properties of the target compound.Result show that it has a density of 1.75 g·cm^(-3),a thermal decomposition temperature of 184℃,a detonation velocity of 7730 m·s^(-1),and a detonation pressure of 26.07 GPa.

关 键 词：氧氮杂金刚烷 硝酸酯 含能化合物 笼状化合物 合成 热稳定性 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]