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1954031 
Journal Article 
Synthesis and Crystal Structure of 1-Phenyl-2-acetoxy-2-methyl-1-propanone 
Xu Bao-Ming; Cheng Qian; Luo Yan; Chen Kun 
2011 
Yes 
Chinese Journal of Structural Chemistry
ISSN: 0254-5861 
30 
11 
1614-1618 
WOS:000297669000015 
1-Phenyl-2-acetoxy-2-methyl-propanone, a new a-hydroxy ketone derivative, was synthesized by Friedel-Crafts acylation and characterized by FT-IR, (1)H NMR, MS spectra and single-crystal X-ray diffraction measurements. The data are as follows: monoclinic, space group P2(1)/c, Z = 4, C(12)H(14)O(3), M(r) = 206.24, a = 8.9430(2), b = 15.2680(4), c = 8.2550(2) angstrom, beta = 91.9650(5)degrees, V = 1126.60(5) angstrom(3), D(c) = 1.216 g/cm(3), mu(MoK alpha) = 0.087 mm(-1), F(000) = 440, R = 0.0725 and wR = 0.1379 for 1282 observed reflections with I > 2 sigma(I). The structure was solved by direct methods and refined by full-matrix least-squares refinement on F(2) 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 center dot center dot center dot O hydrogen bonds. 
synthesis; single crystal; X-ray diffraction; alpha-hydroxy ketone