1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮与对氨基苯乙酮的缩合反应、量化计算和抑菌活性  

Condensed Reaction, Quantum Chemistry Calculation and Antibacterial Activities of Compound Derived from PMBP with p-Aminoacetophenone and Its Complexes

作　　者：王瑾玲[1] 丁峰[1] 郁铭[2] 

机构地区：[1]天津师范大学化学与生命科学院,天津300074 [2]天津科技大学,天津300122

出　　处：《有机化学》2004年第11期1423-1428,共6页Chinese Journal of Organic Chemistry

基　　金：天津市科委自然基金 (No.0 0 360 1 71 1 );天津理工学院科技发展基金 (No.LG0 30 2 1 )资助项目

摘　　要：利用 1 苯基 3 甲基 4 苯甲酰基 5 吡唑啉酮 (PMBP)和对氨基苯乙酮 (PAAP)制备了PMBP缩对氨基苯乙酮 (PMBP缩PAAP)及其铜 (II)、钴 (II)、镍 (II)和锌 (II)配合物 ,根据元素分析、红外、紫外、MS和1HNMR谱表征了结构 .利用量子化学和分子力学计算方法对缩合反应的机理进行了探讨 ,较好地解释了PMBP PAAP配体的烯胺酮式构型及其配合物的亚胺烯醇式构型 .测定了化合物对大肠杆菌和金黄色葡萄球菌的抑制活性 ,其中以钴 (II)和铜配合物 (II)The ligand prepared from PMBP with p-aminoacetophenone and its Cu(II), Co(II), Ni(II) and Zn(II) complexes have been synthesized and characterized by IR, UV, MS and H-1 NMR spectra. The mechanism of the condensed reaction has been discussed using quantum chemistry and molecular mechanics calculation, which can explain the enamine conformation of the ligand and the imine-enol conformation of the complexes. The antibacterial activities have been screened for these compounds, among which the Co(II) and Cu(II) complexes have the most intense antibacterial activities.

关 键 词：1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮 对氨基苯乙酮 缩合反应 抑菌活性 量子化学 分子力学 亚胺烯醇式构型 

分 类 号：O626[理学—有机化学]