摘要
1-Phenyl-2-acetoxy-2-methyl-propanone, a new a-hydroxy ketone derivative, was synthesized by Friedel-Crafts acylation and characterized by FT-IR, 1H NMR, MS spectra and single-crystal X-ray diffraction measurements. The data are as follows： monoclinic, space group P21/c, Z = 4, C12H1403, Mr = 206.24, a = 8.9430（2）, b =15.2680（4）, c = 8.2550（2） A, β = 91.9650（5）°, V = 1126.60（5）A^3, Dc = 1.216 g/cm^3, μ（MoKα） = 0.087 mm^-1, F（000） = 440, R = 0.0725 and wR = 0.1379 for 1282 observed reflections with I〉 2σ（I）. The structure was solved by direct methods and refined by full-matrix least-squares refinement on F2 methods. The benzene ring in the structure is almost coplanar with the adjacent carbonyl groups and t-carbonyl atom. Meanwhile, the long chain is approximately perpendicular to the plane. X-ray analysis reveals that the crystal structure involves two weak intramolecular C-H…O hydrogen bonds.
1-Phenyl-2-acetoxy-2-methyl-propanone, a new a-hydroxy ketone derivative, was synthesized by Friedel-Crafts acylation and characterized by FT-IR, 1H NMR, MS spectra and single-crystal X-ray diffraction measurements. The data are as follows： monoclinic, space group P21/c, Z = 4, C12H1403, Mr = 206.24, a = 8.9430（2）, b =15.2680（4）, c = 8.2550（2） A, β = 91.9650（5）°, V = 1126.60（5）A^3, Dc = 1.216 g/cm^3, μ（MoKα） = 0.087 mm^-1, F（000） = 440, R = 0.0725 and wR = 0.1379 for 1282 observed reflections with I〉 2σ（I）. The structure was solved by direct methods and refined by full-matrix least-squares refinement on F2 methods. The benzene ring in the structure is almost coplanar with the adjacent carbonyl groups and t-carbonyl atom. Meanwhile, the long chain is approximately perpendicular to the plane. X-ray analysis reveals that the crystal structure involves two weak intramolecular C-H…O hydrogen bonds.
基金
Supported by the Scientific and Technical Personnel Service Enterprise Foundation of State Ministry of Science and Technology (2009GJD10016)
The Major Production-Study-Research Foundation of Education Department of Hubei Province (CXY2009A010)
the Natural Science Foundation of Hubei Province (2010CDA020)
