Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)


organic compounds



bh2453 scheme

Acta Cryst. (2012). E68, o3175    [ doi:10.1107/S160053681204233X ]

Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

Z. Shang, X. Tao, J. Ha and F. Yu

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.


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