Yang-Gen Hu

3-(4-Methoxy­phenoxy)-2-phenyl-3H-1-benzofuro[3,2-d]pyrimidin-1-one

Pyrimidine derivatives are attracting increasing attention in the synthetic chemistry community because of the important role played by such systems in many natural products, antibiotics and drugs (Ding et al., 2004). In recent years, we have been engaged in the preparation of derivatives of heterocycles using the aza-Wittig reaction. In this paper, we present the X-ray crystallographic analysis of the title compound, (I).

Ethyl 3-(4-fluoro-phen-yl)-6-methyl-4-oxo-2-(1-cyclohexylamino)-3,4-dihydro-furo[2,3-d]pyrimidine-5-carboxyl-ate.

In the crystal structure of the title compound, C22H24FN3O4, the two fused rings of furo[2,3-d]pyrimidine form a dihedral angle of 0.88 (13)°. The attached benzene ring is twisted with respect to the heterocyclic pyrimidinone ring, making a dihedral angle of 75.07 (12)°. The cyclohexyl ring shows a distorted chair conformation. The molecular structure is stabilized by intramolecular C—H⋯O and C—H⋯N hydrogen-bonding interactions. The crystal packing is mainly stabilized by C—H⋯π hydrogen-bond interactions. Further stability is provided by C—F⋯π and C—O⋯π stacking interactions.

2-Ethoxy-3-phenyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

Derivatives of thienopyrimidines are of great importance because of their remarkable biological properties (Walter, 1999a,b). In recent years, we have been engaged in the preparation of heterocyclic derivatives containing a fused pyrimidinone system using the aza-Wittig reaction (Ding et al., 2004). Some X-ray crystal structure reports for thienopyrimidine derivatives have been published (Xu et al., 2005; Cao et al., 2006). Here, the structure of the title compound, (I), which may be used as a new precursor for obtaining bioactive molecules, is reported (Fig. 1).