含1,3,4-噻二唑的吡唑烷酮类化合物的合成、晶体结构及生物活性

Synthesis,crystal structure and biological activity of pyrazolidinone compounds containing 1,3,4-thiadiazole

以几种取代的α,β-不饱和羧酸酯与1,3,4-噻二唑肼类化合物为原料,合成得到7个未见报道的含1,3,4-噻二唑结构的吡唑烷酮类化合物3a～3g.通过IR、NMR、元素分析等测试手段对所合成的化合物结构进行了表征.通过溶液结晶法得到化合物3d的有机单晶,利用X射线单晶衍射仪测得该晶体属于正交晶系,Pbca空间群;该化合物的分子间通过氢键形成沿a轴无限延伸的一维链状超分子结构.采用微量二倍稀释法,测试了3a～3g对大肠杆菌(Escherichia coli)和金黄色葡萄球菌(Staphylococcus aureus)的抑菌活性,其中,有4个化合物的抑菌活性较好,与其分子结构中含氯元素有一定的关系.本研究结果为这类化合物的深入研究提供了有价值的参考.

Seven new pyrazolidinones 3 a^3 g were synthesized using severalα,β-unsaturated carboxylic ester and 1,3,4-thiazolium hydrazide as raw materials,and they had different substituted 1,3,4-thiadiazole structures.The structures of these compounds were characterized by IR,NMR and elemental analysis.The organic single crystal of compound 3 dwas obtained by solution crystallization method,and X-ray single crystal diffractometer was used to determine that the crystal belongs to orthogonal crystal system,Pbcaspace group.The molecules of the compound form an infinite one-dimensional chain supramolecular structure along the a-axis through hydrogen bonds.The antibacterial activity of 3 a^3 g on Escherichia coli and Staphylococcus aureus was tested by micro-dilution methods,the results show that four compounds had good antibacterial activity,which was related to the chlorine element in their molecular structures.Furthermore,this paper will provide valuable reference for this type of compounds study in future.