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Methyl 2-[2-(benzyl-oxycarbon-ylamino)-propan-2-yl]-5-hy-droxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate.

ABSTRACT: The title pyrimidine derivative, C(18)H(21)N(3)O(6), was obtained by the reaction of methyl 2-[2-(benzyl-oxycarbon-yl)amino-propan-2-yl]-5-hy-droxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate with dimethyl sulfate in dimethyl sulfoxide. The mol-ecule 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 intra-molecular 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.

SUBMITTER: Shang Z 

PROVIDER: S-EPMC3515268 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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Methyl 2-[2-(benzyl-oxycarbon-ylamino)-propan-2-yl]-5-hy-droxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate.

Shang Zhenhua Z   Tao Xiao X   Ha Jing J   Yu Fuda F  

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

The title pyrimidine derivative, C(18)H(21)N(3)O(6), was obtained by the reaction of methyl 2-[2-(benzyl-oxycarbon-yl)amino-propan-2-yl]-5-hy-droxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate with dimethyl sulfate in dimethyl sulfoxide. The mol-ecule 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 est  ...[more]

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