硝基乙腈钾合成1,2,4-三嗪氮杂稠环化合物的研究

以2-氰基-2-羟基亚氨基乙酸乙酯（NOCNEt）为原料，在碱性条件下经氧化、水解等反应，合成了硝基乙腈钾。考察了硝基乙腈钾合成中物料比、催化剂用量、反应温度和时间对反应产率的影响，将硝基乙腈钾的总产率由28.35%提高到37.71%。使用硝基乙腈钾代替现制备的硝基乙腈，与五元氮杂环的重氮盐进行偶联、环化反应，合成了新型氮杂稠环化合物3-硝基-4-氨基-7-氰基-［1,2,4］三唑［5,1-c］［1,2,4］三嗪（AITX）。表征了产物的结构，计算了性能参数。AITX的密度为1.64 g/cm³，氮质量分数达到47.80%，生成焓为772.43 kJ/mol。

Study on Synthesis of 1 ,2 ,4-Triazine Fused Compounds by Nitroacetonitrile Potassium

Nitroacetonitrile potassium salt was synthesized via oxidation and hydrolysis using ethyl cyanoglyoxylate-2-oxime as raw materials. The effects of substrates ratio, reaction temperature, reaction time solvent was investigated, and the yield of nitroacetonitrile potassium salt was promoted from 28.35% to 37.71%. The new 1,2,4-triazine fused compounds 4-amino-3-nitroimidazo［5,1-c］［1,2,4］triazine-8-carbonitrile(AITX) was synthesized from coupled reaction and cyclization using nitroacetonitrile potassium salt. Structure of AITX was characterized and the properties was studied. Density of AITX is 1.64 g/cm³, mass fraction of nitrogen is 47.80% and enthalpy of formation is 772.43 kJ/mol.