OPTIMIZATION OF SYNTHESIS PARAMETERS AND CHARACTERIZATION OF 4,6-DIHYDROXY-2-METHYL PYRIMIDINE

Abstract

4,6-dihydroxy-2-methylpyrimidine (MPD) serves as a crucial precursor in the pharmaceutical industry and the synthesis of organic compounds and has recently gained attention as a key intermediate in the production of the energetic material FOX-7. A modern synthetic approach involves the condensation of acetamidine hydrochloride (C2H6N2·HCl) and diethyl malonate (C7H12O4) in an organic alkaline medium; however, limited data are available regarding the technological parameters that govern this process. In this study, the Taguchi experimental design method was employed to determine the optimal conditions for maximizing MPD yield. Validation experiments confirmed that the optimal parameters included a sodium methoxide concentration of 18%, a reaction time of 180 minutes, and a DEM/Ace·HCl molar ratio of 1.4. Under these conditions, a maximum MPD yield of 88.5% was achieved. The synthesized MPD was subsequently identified and characterized through nuclear magnetic resonance (NMR) spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, and melting point determination. Additionally, powder X-ray diffraction (PXRD) analysis was conducted, with the PXRD pattern of MPD being reported for the first time, providing valuable structural insights into the synthesized compound.