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

Synthesis and Crystal Structure of (5-Hydroxy-6-methoxybenzofuran-3-yl)-(4-methoxyphenyl)methanone
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摘要 Compound 1 (5-hydroxy-6-methoxybenzofuran-3-yl)(4-methoxyphenyl)metha- none, C17H1405, as a potential anti-breast cancer agent has been synthesized under microwave irradiation, which was further converted to (5,6-dihydroxybenzofuran-3-yl)(4-methoxyphenyi)me- thanone (2). The compounds were characterized by MS and NMR spectra. Meanwhile, the crystal of 1 was obtained and determined by X-ray single-crystal diffraction. Crystal data: monoclinic system, space group P2/n, a = 8.908(6), b = 10.505(7), c = 15.452(11) A, β = 105.043(9), V = 1396.4(16) A3, Z = 4, F(000) = 624, Dc = 1.419 g/cm3, p = 0.105 mm-1, R = 0.0513 and wR = 0.1246 for 14459 independent reflections (Rint = 0.0647) and 2488 observed ones (I〉 2σ(/)). lntermolecular O-H...O and π-π stacking interactions contributed to the stability of the structure. Compound 1 (5-hydroxy-6-methoxybenzofuran-3-yl)(4-methoxyphenyl)metha- none, C17H1405, as a potential anti-breast cancer agent has been synthesized under microwave irradiation, which was further converted to (5,6-dihydroxybenzofuran-3-yl)(4-methoxyphenyi)me- thanone (2). The compounds were characterized by MS and NMR spectra. Meanwhile, the crystal of 1 was obtained and determined by X-ray single-crystal diffraction. Crystal data: monoclinic system, space group P2/n, a = 8.908(6), b = 10.505(7), c = 15.452(11) A, β = 105.043(9), V = 1396.4(16) A3, Z = 4, F(000) = 624, Dc = 1.419 g/cm3, p = 0.105 mm-1, R = 0.0513 and wR = 0.1246 for 14459 independent reflections (Rint = 0.0647) and 2488 observed ones (I〉 2σ(/)). lntermolecular O-H...O and π-π stacking interactions contributed to the stability of the structure.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第11期1608-1612,共5页 结构化学(英文)
基金 Supported by the National Natural Science Foundation of China(No.21102084) Scientific and Technological Research Project of Hubei Provincial Department of Education(Q20111210) Science Foundation of China Three Gorges University(Nos.KJ2009B046and KJ2010B001)
关键词 BENZOFURAN X-ray diffraction crystal structure π-π stacking interaction hydrogen bond benzofuran, X-ray diffraction, crystal structure, π-π stacking interaction,hydrogen bond
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