A. Barakat, H. Ghabbour, S. Atef
Sep 30, 2016
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Molbank
Abstract
5-[(3-Fluorophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)-methyl]-6-hydroxy-1,3-di-methylpyrimidine-2,4(1H,3H)-dione 3 was synthesized via a multicomponent reaction. The Aldol–Michael addition reactions of N,N-dimethylbarbituric acid, cyclohexane-1,3-dione, and 3-fluorobenzaldehyde in aqueous solution gave the product in high yield. The molecular structure of the compound was confirmed by spectroscopic methods and X-ray crystallography. The title compound (C19H19FN2O5·H2O) crystallizes in the Monoclinic form, P21/c, a = 7.8630 (5) A, b = 20.0308 (13) A, c = 11.3987 (8) A, β = 104.274 (3)°, V = 1739.9 (2)° A3, Z = 4, Rint = 0.117, wR(F2) = 0.124, T = 100 K.