1-苯基-3-甲基-4-苯甲酰基-5-吡唑啉酮與對氨基苯乙酮的縮合反應、量化計算和抑菌活性

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 (superscript 1)H 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.