Synthesis and Crystal Structure of (2,5-Dimethyl-2-phenyl-1,3-dioxane-5-yl) methanoic Acid

摘要

A new cyclic compound (2,5-dimethyl-2-phenyl-1,3-dioxane-5-yl) methanoic acid was prepared from the reaction of acetophenone with 2,2-bis(hydroxymethyl) propionic acid and characterized hy ~1H NMR and FT-IR. The molecular structure was presented by single crystal X-ray diffraction analyses, which shows that the title compound belongs to orthorhombic system with space group Cmca with a = 10.011(3) A, b = 6.421(3) A, c = 37.688(11) A. Mr = 236.26, V = 2422.6(13) A~3, Dc=1.296 g/cm~3, Z = 8, μ = 0.096 mm~(-1), F(000)= 1008, R = 0.0553, wR = 0.1699. In the title compound, the 1,3-dioxane ring adopts a chair conformation and the phenyl substituent occupies an axial site. In the crystal, adjacent two molecules are connected by O-H...O hydrogen bonding to form a dimer.