Synthesis and Crystal Structure of (5-Hydroxy-6-methoxybenzofuran-3-yl)-(4-methoxyphenyl)methanone

Compound 1 (5-hydroxy-6-methoxybenzofuran-3-yl)(4-methoxyphenyl)methanone, C17H14O5, as a potential anti-breast cancer agent has been synthesized under microwave irradiation, which was further converted to (5,6-dihydroxybenzofuran-3-yl)(4-methoxyphenyl)methanone (2). The compounds were characterized by MS and NMR spectra. Meanwhile, the crystal of l was obtained and determined by X-ray single-crystal diffraction. Crystal data: monoclinic system, space group P2(1)/n, a = 8.908(6), b = 10.505(7), c = 15.452(11) angstrom, beta = 105.043(9)degrees, V = 1396.4(16) angstrom(3), Z = 4, F(000) = 624, D-c = 1.419 g/cm(3), mu = 0.105 mm(-1), R = 0.0513 and wR = 0.1246 for 14459 independent reflections (R-int = 0.0647) and 2488 observed ones (I > 2 sigma(I)). Intermolecular O-H center dot center dot center dot O and pi-pi stacking interactions contributed to the stability of the structure.