Synthesis and Theoretical Study of Molecular Structure of Some Novel Pyrazolone Derivatives

Abstract

During the last two decades, the study of biological activities of pyrazolone derivatives has been the main focus area of many researchers. Looking to the importance and usefulness of pyrazolones, a series of 5-pyrazolone derivatives were synthesized by refluxing ethyl ?-(4-chloro-2-methyl phenyl azo) aceto acetate and acid hydrazides of malon anilic acid in acetic acid medium or by heating under microwave irradiation. In this paper two of the newly synthesized compounds were characterized by elemental analysis, IR, 1H NMR spectroscopy. The synthesized compounds were used as efficient precursors for the synthesis of new heterocyclic compounds with expected biological activities. We have also concluded that the reactions described have proceeded to completion in a much shorter time when irradiated in a focused microwave oven. Theoretical study of the compounds and their IR spectra data have been determined by performing DFT molecular orbital calculations.

Keywords:  Pyrazolone, refluxing, microwave, synthesis, biological activities