一种新型高氮含能化合物5-((5-硝基-2H-四唑-2-基)甲基)-1H-四唑-1-醇的合成与表征  

Synthesis and Characterization of a Novel High Nitrogen Energetic Compound 5-((5-Nitro-2H-tetrazol-2-yl)methyl)-1H-tetrazol-1-ol

作　　者：居平文 凌亦飞 王桂香[1] 罗军[1] 

机构地区：[1]南京理工大学化工学院,南京210094

出　　处：《有机化学》2015年第1期236-240,共5页Chinese Journal of Organic Chemistry

摘　　要：以5-氨基四唑为起始原料,经重氮化-硝化、烷基化、肟化、重氮化-氯化、叠氮化和环合等单元反应以19%的总产率合成了一种新型含能化合物5-[（5-硝基-2H-四唑-2-基）甲基]-1H-四唑-1-醇.利用NMR,IR,MS及元素分析等进行了结构表征;利用X射线单晶衍射法测试了该化合物的晶型结构,该化合物属于单斜晶系,空间群P2（1）/c,晶胞参数：a=3.3619（11）,b=9.3910（19）,c=8.2060（16）,β=101.44（3）°,Z=2,Dc=1.748 g·cm^-3,μ=0.153 mm^-1,F（000）=216;利用差示扫描量热法（DSC）和热重（TG）分析研究了该化合物的热性能,分解温度为202.25℃,热重变化范围130~320℃,总失重78.6%;利用Kamlet-Jacobs公式估算了该化合物的爆轰性能,理论爆速和爆压分别为8500 m·s^-1和31.53 GPa.Using 5-aminotetrazole as starting material, a novel high nitrogen energetic compound 5-（（5-nitro-2H-tetrazol-2- yl）methyl）-1^H-tetrazol-l-ol was synthesized with a total yield of 19% via diazotization-nitration, alkylation, oximation, diazotization-chlorination, azidation and cyclization. It was characterized by NMR, MS, IR and elemental analysis. The crystal structure of this compound was determined by X-ray single crystal diffraction analysis. The results indicated that it belonged to monoclinic system with space group P2（1）, and the crystal parameters werea=3.3619（11）,b=9.3910（19）,c=8.2060（16）,β=101.44（3）°,Z=2,Dc=1.748 g·cm^-3,μ=0.153 mm^-1,F（000）=216. The thermal properties were studied by differential scanning calorimeter （DSC） and thermogravimetric （TG） analyzer analyses, which showed that the decomposi- tion temperature of target compound was 202.25 ℃, and the mass loss due to overall reaction （130~320℃） was 78.6%. The detonation velocity and detonation pressure of this compound calculated by Kamlet-Jacobs formula are 8500 m · s ^-1 and 31.53 Gpa, respectively.

关 键 词：高氮含能化合物 四唑 合成 表征 

分 类 号：O626.28[理学—有机化学] TQ560.1[理学—化学]