화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.641, 53-62, 2016
Microwave assisted solid phase catalyst-free Biginelli synthesis of 3,4-dihydropyrimidin-2(1H)-one and 3,4-dihydropyrimidin-2(1H)-thione: A green approach, characterization and molecular crystal structures
Solid phase catalyst-free Biginelli synthesis of novel 5-carbethoxy-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one (C15H17BrN2O5) and 5-carbethoxy-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-thione (C15H17BrN2O4S) has been carried out under microwave irradiation at 400W. The structures of both compounds were confirmed by H-1 NMR, C-13 NMR, Mass, FT-IR, Elemental analysis, and single crystal X-ray diffraction method. The single crystals of both compounds were obtained by crystallization in 0.35 x 0.30 x 0.25mm dimension for (C15H17BrN2O5) and 0.35 x 0.32 x 0.30mm dimension for (C15H17BrN2O4S). Both compounds, (C15H17BrN2O5) and (C15H17BrN2O4S) crystallizes in the monoclinic P2(1)/c space group and shows four and two intermolecular hydrogen bonds, respectively.