4-喹诺酮-N-乙酸的合成、表征及反应机理研究

摘要

4-quinolone-N-acetic acid was prepared by N-alkyl quinolone with 4-hydroxyquinoline as raw materials. The title com-pound was characterized by melting point,elemental analysis,IR and 1HNMR. The compound was confirmed by X-ray single crystal diffraction analysis. The reaction mechanism for 4-quinolone-N-acetic acid synthesis was also disccused. The results show that the compound system is in the form of a single crystal system,space group P2(1)/c,a=8.5384(10),b=11.0889(13),c=10.4747 (12),α=90°,β=104.867(2)°,γ=90°,V=958.56(19),Z=4.%以4-羟基喹啉为原料通过N-烷基化合成出4-喹诺酮-N-乙酸。产品的结构通过元素分析． IR1 HNMR进行了鉴定和表征，同时用X射线衍射法测定了化合物4-喹诺酮-N-乙酸的晶体结构，并对其反应机理进行了初步探讨，通过密度泛函理论计算出反应体系的热力学函数，表明N-烷基化反应为自发过程。结果表明：化合物系单斜晶系，空间群P2（1）／c，a＝8.5384（10），b＝11.0889（13），c＝10.4747（12），α＝90°，β＝104.867（2）°，γ＝90°，V＝958.56（19），Z＝4。