Synthesis and Crystal Structure of Diethyl 5-Acetoxy-3-（4-chlorophenyl）- 4,5-dihydroisoxazol-5-yl-5-phosphonate

1INTRODUCTION Isoxazole derivatives are an important class of heterocycles as intermediates for natural product synthesis and building blocks for constructing new molecular systems1,2].In addition,isoxazole deriva-tives have been long targeted in synthetic inves-tigation for their known biological activities and pharmacological properties such as hypoglycemic,analgesic,anti-inflammatory and anti-bacterial acti-vities3~6].Therefore,the isoxazolines and isoxazoles with phosphonate group ar…

Synthesis and Crystal Structure of Diethyl 5-Acetoxy-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl-5-phosphonate

The crystal structure of the title compound, diethyl 5-acetoxy-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl-5-phosphonate (Ci5H19ClNO6P, Mr = 375.73), has been synthesized by the treatment of nitrile oxides and 1-acetyloxy-vinylphosphonate under very mild conditions in good yields, and determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 16.914(10), b = 10.567(7), c = 21.927(13)(A),β = 110.249(11)°, V= 3677(4)(A)3,Z = 8, Dc = 1.358 g/cm3, F(000) = 1568, μ(MoKa) = 0.324 mm-1, S = 1.011, the final R = 0.0661and wR = 0.1556. The X-ray analytic results showed that the dihedral angle between the phenyl group and the isoxazoline ring is 10.7°.