功能化酸性离子液体绿色合成酯及理论研究  

Green synthesis of ester by acid functionalized ionic liqiud and theoretical study

作　　者：石月丹[1] 刘春光[1,2] 徐凛然[1] 关晓辉[1] 

机构地区：[1]东北电力大学化学工程学院,吉林吉林132012 [2]东北师范大学化学学院,吉林长春130024

出　　处：《分子科学学报》2013年第2期166-170,共5页Journal of Molecular Science

摘　　要：实验探索了酸性功能化室温离子液体1-丙烷磺酸基-3-甲基咪唑硫酸氢盐([mimps][HSO4])催化乳酸与正丁醇、丙酸与异戊醇进行酯化反应的新工艺。考察了醇酸摩尔比、催化剂用量和反应时间等因素对酯化率的影响。结果表明,在优化工艺条件下乳酸正丁酯和丙酸异戊酯的酯化率分别为69.8%和92.1%;采用量子化学密度泛函理论计算并从热力学角度分析了二者酯化率存在较大差异的原因。生成的酯不溶于催化体系,采用分液漏斗即可实现催化剂的分离过程。离子液体循环使用10次,催化效果无明显降低。The new method of catalytic esterfication reaction for lactic actic with butaol and propionic acid with isoamyl alchol by acid functionalized room temperature ionic liquid 1-methyl-3-n-propyl sulfonic acid imidazolium hydrogen s ulfate（[mimps][HSO4 ]） was inwestigate. The effects of the alcohol acid ratio, the amount of catalyst, and the reaction time were explored. Under the optimal reaction conditions, the yield of butyl lactate and isoamyl propionate were 69.8% and 92. 1~, respectively. Discussed the quit different reasons thermodynamics. The products were by separatory funnel after reaction. lowering of activity. both of the esterification rate by density functional theory and immiscible with [mimps][HSO4-] and could be speparated simply The ionic liquid could be seused for 10 times without noticeable

关 键 词：离子液体 乳酸正丁酯 丙酸异戊酯 量子化学 热力学 

分 类 号：O642[理学—物理化学]