【摘要】 以苦味酸和原甲酸三乙酯为原料合成中间体2,4,6-三硝基苯乙醚,再经4-氨基-1,2,4-三唑（ATA）胺化制得3-乙氧基-2,4,6-三硝基苯胺,总收率为75.2%。中间体和产物经FT-IR,¹H NMR,¹³C NMR,MS确证结构。成功培养出3-乙氧基-2,4,6-三硝基苯胺单晶,单晶测试其为正交晶系,空间群为Pna2₁,晶体学参数为:a=1.4028（2） nm,b=0.58767（10） nm,c=2.6458（5） nm,V=2.1811（6） nm³,Z=8,D=1.658 g/cm³。研究了胺化反应原料投料比、反应温度及时间对收率的影响,得到适宜工艺条件为:n_{2,4,6-三硝基苯乙醚}∶n_ATA∶n_乙醇钠=1.0∶3.0∶4.5（反应物摩尔比）,反应温度50～55℃,反应时间6 h。通过DSC-TG研究了产物的热分解过程,其吸热熔化峰温为108.3℃,放热峰温为245.9℃,在193.1℃时,质量损失4.9%。基于密度泛函理论对产物理论爆轰性能进行了计算,其理论爆速为6.86 km/s,理论爆压为19.61 GPa。研究表明:3-乙氧基-2,4,6-三硝基苯胺熔点较低（108.3℃）且具有较好的热稳定性,爆轰性能与2,4,6-三硝基甲苯（TNT）相当,撞击感度(h₅₀=267 cm)远低于TNT(h₅₀=98 cm),有作为熔铸炸药液相载体的潜力。更多还原

【Abstract】 The intermediate 2,4,6-trinitrophenetole was synthesized from picric acid and triethyl orthoformate,and then 2,4,6-trinitrophenetole was aminated with 4-amino-1,2,4-triazole（ ATA）,with a total yield of 75. 2%. The structure of the intermediate and product were confirmed by FT-IR,¹ H NMR,¹³ C NMR and MS. The single crystal of 3-ethoxy-2,4,6-trinitroaniline was successfully cultured,and the single crystal tested it to be an orthorhombic crystal system,the space group was Pna21,and the crystallographic parameters were: a = 1. 4028（ 2） nm,b = 0. 58767（ 10） nm,c = 2. 6458（ 5） nm,V = 2. 1811（ 6） nm³,Z = 8,D = 1. 658 g/cm³. The effects of raw material ratio,reaction temperature and reaction time on the yield of amination reaction were examined. The suitable process conditions were obtained: n_{2,4,6-trinitrophenetole}∶ n_ATA∶ n_{sodium ethylate}= 1. 0 ∶ 3. 0 ∶ 4. 5,reaction temperature was 50 ～ 55 ℃,reaction time was 6 h. The thermal decomposition process of the product was studied by DSC-TG. Its endothermic melting peak temperature was 108. 3 ℃ and the exothermic peak temperature was 245. 9 ℃ .At 193. 1 ℃,the mass loss was 4. 9%. The theoretical detonation performance of the product was calculated based on density functional theory. The theoretical detonation velocity is 6. 86 km/s and the theoretical detonation pressure was 19. 61 GPa. The results show that 3-ethoxy-2,4,6-trinitroaniline has a low melting point（ 108. 3 ℃） and good thermal stability,detonation performance is similar to 2,4,6-trinitrotoluene（ TNT）,and impact sensitivity( h₅₀= 267 cm) is much lower than TNT( h₅₀= 98 cm),and it has the potential to be used as liquid carrier for molten cast explosives.更多还原