含有噻二唑新型双头硫醚化合物合成研究.docVIP

含有噻二唑新型双头硫醚化合物合成研究 摘要：硫醚是一类有重要生理功能和药理活性的有机化合物，广泛应用于医药、农药和工业等领域，而且它以其较强的配位能力及分子识别能力也越来越受到关注。本课题论文合成了含有噻二唑的一系列的新型双头硫醚。利用单因素优化法对1,3-二(5-对甲苯基-1,3,4-噻二唑-2-硫代)甲烷的各步合成工艺条件进行了优化，并得到了较佳的工艺条件：2-对甲苯基-5-巯基-1,3,4-噻二唑与二溴甲烷的摩尔比为5:2.6，反应温度为75℃，反应时间为24h，溶剂采用无水乙醇和DMF。利用核磁氢谱对目标化合物的结构进行了表征。此课题的研究为含噻二唑的双头硫醚类化合物的进一步研发提供了有价值的理论依据。关键词：硫醚；1,3,4-噻二唑；含噻二唑的双头硫醚；合成10118 Synthesis Research of Novel Double Sulfide CompoundContaining a Thiadiazole Structure Abstract: Sulfide is a kind of important organic compounds which was widely used in pharmaceuticals, pesticides, industrial and other fields for its important physiological functions and pharmacological activities. And it has also gained wide attention due to its strong coordination and molecular recognition abilities. A series of new type of double sulfide containing thiadiazole were synthesized in this topic.The synthesis process conditions of 1,3-bis(5-p-1,3,4-thiadiazol-2-thio)butane were optimized by using single factor optimization method and the optimum conditions for the process are as follows: the molar ratio of 2-p-methylphenyl-5-mercapto-1,3,4-thiadiazole and dibromobutane is 5:2.6,the reaction temperature is 75℃, reaction time is 24h, reaction solvent is ethanol and DMF. At the same time，we also have characterized the structures of target compounds by using hydrogen nuclear magnetic spectrum. The research may provide valuable theoretical basis for the further development of double sulfide compound bearing thiadiazole structure. 3.2 5-对甲苯基-1,3,4-噻二唑-2-硫醇的合成12 3.2.1催化剂的优化13 3.2.2对甲基苯甲酰肼与二硫化碳摩尔比的优化13 3.2.3温度对反应的影响13 3.3 1,3-二(5-对甲苯基-1,3,4-噻二唑-2-硫代)甲烷的合成14 3.3.1反应物摩尔比的优化14 3.3.2反应温度的优化15 3.3.3反应时间的优化15 3.5 化合物核磁分析16 结论17 致谢18 参考文献19 附录21 1 绪论 在化学研究的发展中，杂环化合物的研究占据了重要地位，它以其灵活多变的结构和高效的活性已成为化学研究发展的主要趋势。在分子中同时引入两个或多个杂环活性基团，能够改善化合物的生物活性，从而得到活性更好、应用价值更高的化合物。噻二唑类衍生物因具有诸如抗菌、抗惊厥、抗炎、抗癌等广泛的生物活性而在新药分子设计中倍受关注。此外，据文献报道，在具有杂环化合物的分子中引入硫原子(供电原子)可以显著增加受体与配体形成复合物的亲和力，有利于提高生物活性，且改善其选择性[1]。吡啶、吡唑、嘧啶、三唑稠杂环等类化合物又是发展最快、最为重要的领域。为了获得新型的、生物活性更好的化合物，基于生物活性基