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| 5-硝基-2H-四唑的合成、反应性及产物晶体结构的研究 | |
| 引用本文： | 孙成辉,李玉川,庞思平.5-硝基-2H-四唑的合成、反应性及产物晶体结构的研究[J].有机化学,2010,30(3):424-430. |
| 作者姓名： | 孙成辉 李玉川 庞思平 |
| 作者单位： | (北京理工大学材料学院 北京 100081)(北京理工大学生命学院 北京 100081)(北京航天试验技术研究所 北京 100074) |
| 基金项目： | 国家级.国家自然科学基金 |
| 摘 要： | 5-氨基四唑(1)经过重氮化反应得到5-硝基四唑(5), 5与甲醛反应得到2-羟甲基-5-硝基四唑(6), 6与HCl或HBr反应分别得到5-5氯代四唑(7)和5-溴代四唑(8), 采用MS, IR, 1H NMR, 13C NMR等技术对这些化合物进行了表征. 用X射线单晶衍射法测定了化合物5-硝基四唑钠(4), 5和6的晶体结构. 化合物4属于三斜晶系, P-1空间群; 化合物 5和6均属于单斜晶系, P21空间群, 化合物6的晶胞参数a＝0.66131(18) nm, b＝0.54905(15) nm, c＝0.7566(2) nm, Z＝2, V＝0.27470(13) nm3, Dc＝1.754 g/cm3, F(000)＝128, μ＝0.160 mm－1. |
| 关 键 词： | 硝基四唑 合成 晶体结构 反应性 |
| 收稿时间： | 2009-09-27 |
| 修稿时间： | 2009-11-22 |
Study on Synthesis and Reactivity of 5-Nitro-2H-tetrazole and Crystal Structrue of Some Products |
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| Institution: | ( School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081) ( School of Life Science and Technology, Beijing Institute of Technology, Beijing 100081) ( Beijing Institute of Aerospace Testing Technology, Beijing 100081) |
| Abstract: | 5-Nitro-2H-tetrazole (5) was prepared from 5-amino-1H-tetrazole (1) through diazotization and Sandmeyer reaction. 5 was then reacted with formaldehyde to form 5-nitro-2-hydroxymethyl-tetrazole (6), and 6 was reacted with concentrated HCl or HBr to form 5-chlorotetrazole (7) and 5-bromotetrazole (8), respectively. Their structures were characterized by MS, IR, 1H NMR and 13C NMR techniques, and the crystal structures of 5-nitrotetrazole sodium salt (4), 5 and 6 were determined by X-ray single crystal diffraction analysis. 4 belongs to triclinic system with space group P-1; 5 and 6 belong to monoclinic system with space group P21, and the crystal parameters of 6 were a＝0.66131(18) nm, b＝0.54905(15) nm, c＝0.7566(2) nm, Z＝2, V＝0.27470(13) nm3, Dc＝1.754 g/cm3, F(000)＝128, μ＝0.160 mm－1. |
| Keywords: | nitrotetrazole synthesis crystal structure reactivity |
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