Synthesis and Crystal Structure Analysis of Ethyl-4-(4-acetoxy-phenyl)-3-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylate

Abstract

4-(4-Acetoxy-phenyl)-3-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester (2) was synthesized by a two step reaction process. Preliminary spectroscopic analysis was done by IR, 1 HNMR and elemental analysis. The crystal and molecular structure was further confirmed using single crystal x-ray diffraction. The dihedral angle between the planes of the aryl and dihydropyrimidine rings is 89.65(6)°, which is almost orthogonal. The dihydropyrimidine ring adopts twist-boat conformation. The crystal structure is stabilized by C-H…O, N-H…S and C-H…π interactions.