SPSS Statistics 20.0优化药物中间体乙酸苯酯的合成  

Optimization on synthesis of medicine intermediate phenyl acetate by SPSS Statistics 20.0

作　　者：柳春华[1] 杨芳[1] 崔学文[2] 刘瑞江[1] 

机构地区：[1]江苏大学药学院,江苏镇江212013 [2]江苏大学附属医院,江苏镇江212000

出　　处：《计算机与应用化学》2013年第5期557-560,共4页Computers and Applied Chemistry

基　　金：江苏省自然科学基金(BK2010334);镇江市科技计划项目(No SH2012026);江苏大学大学生科研立项项目(Y11A061)

摘　　要：简要介绍了乙酸苯酯的物理化学性质、应用、药理作用和合成方法,并通过对3种合成路线的比较,选择了以苯酚和乙酸酐为原料,直接酯化法合成了乙酸苯酯的合成路线。概括介绍了SPSS软件、发展状况和功能特点,为软件统计分析优化合成工艺的科学性和可靠性奠定基础。通过单因素考查了催化剂种类、催化剂量和温度对反应收率的影响,结果表明,采用0.04%的浓H_3PO_4为催化剂在(135～145)℃温度条件下,反应收率最大;经正交试验考查了反应温度、反应时间和物料投料摩尔比对合成工艺影响,经SPSS Statistics 20.0对实验数据进行统计分析,试验结果方差分析结果表明,反应温度对反应的影响是显著的,投料比次之,反应时间影响最小;SPSS软件单因素水平统计结果表明,反应温度为(145～155)℃,反应时间为180 min,苯酚与乙酸酐物质的量比为1.00:1.10时,经精制的反应产品收率高达65.8%。经SPSS Statistics 20.0软件对药物中间体乙酸苯酯的合成优化,表明了因素交互作用对乙酸苯酯合成的影响,提高了反应产品的精致收率,对乙酸苯酯的生产具有重要的指导意义。The physicochemical properties, application, pharmacological action and synthesis method of phenyl acetate were introduced briefly, by comparison ＆three synthesis methods, the direct esterification method for the synthesis ofphenyl acetate with phcnyl hydroxide and acetic anhydride as raw material was selected. The software of SPSS, its development and soft functions were introduced briefly, which provided the scienfificity and reliability for the optimization on synthesis of phenyl acetate by SPSS statistics soflvcare. The synthesis yield of phenyl acetate was optimized on the type of catalyzer, the quantity of catalyzer and temperature by one-factor-at-a-timc-tectmique method, the result shows that the yield of phenyl acetate was maximum with strong phosphoric acid as catalyst, the dosage of strong phosphoric acid with respect to total quantity 0.04 % and the temperature of （135-145） ℃. The synthesis technology of phenyl acetate was optimized of reaction temperature, reaction time and raw material ratio by the orthogonal experimantal method, the experimental data were statisticed and analyze d by SPSS Statistics 20.0, the analysis results of variance shows that the effect of reaction temperature on the reaction yield is marked, the effect of raw material ratio on the reaction yield is less important, and the effect of reaction time on the reaction yield is minor; the statistical analysis results of single factor shows that the purifier reaction yield of phenyl acetate is up to 65.8 % when the reaction temperature is （145-155）℃, the reaction time is 180 min, and the molar ratio of phenol hydroxide and acetic anhydride is 1.00：1.10. The optimization on synthesis of medicine intermediate phenyl acetate by SPSS Statistics 20.0 suggested that the interaction of the factors on the reaction yield is significant, the purifier reaction yield was improved, which has important instructive for the production of phenyl acetate.

关 键 词：乙酸苯酯 苯酚 乙酸酐 合成 优化 SPSS 

分 类 号：R914.5[医药卫生—药物化学]