Microwave assisted solid phase catalyst-free Biginelli synthesis of 3,4-dihydropyrimidin-2(1<i>H</i>)-one and 3,4-dihydropyrimidin-2(1<i>H</i>)-thione: A green approach, characterization and molecular crystal structures
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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 (C<sub>15</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>5</sub>) and 5-carbethoxy-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-thione (C<sub>15</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>4</sub>S) has been carried out under microwave irradiation at 400W. The structures of both compounds were confirmed by <sup>1</sup>H NMR, <sup>13</sup>C 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 × 0.30 × 0.25 mm dimension for (C<sub>15</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>5</sub>) and 0.35 × 0.32 × 0.30 mm dimension for (C<sub>15</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>4</sub>S). Both compounds, (C<sub>15</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>5</sub>) and (C<sub>15</sub>H<sub>17</sub>BrN<sub>2</sub>O<sub>4</sub>S) crystallizes in the monoclinic P2<sub>1</sub>/c space group and shows four and two intermolecular hydrogen bonds, respectively.
