Zhenhua Shang, Xiaolin Tao, J. Ha
Oct 20, 2012
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Acta Crystallographica Section E: Structure Reports Online
Abstract
The title pyrimidine derivative, C18H21N3O6, was obtained by the reaction of methyl 2-[2-(benzyloxycarbonyl)aminopropan-2-yl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate with dimethyl sulfate in dimethyl sulfoxide. The molecule has a V-shaped structure, the phenyl and the pyrimidine rings making a dihedral angle of 43.1 (1)°. The methyl group substituting the pyrimidine ring deviates slightly from the ring mean-plane [C—N—C—C torsion angle = 5.49 (15)°], and the methyl ester substituent has a conformation suitable for the formation of an intramolecular O—H⋯O hydrogen bond with the hydroxyl functionality. In the crystal, molecules are linked into chains along the b axis by N—H⋯O hydrogen bonds.