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

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.