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Synthesis and Crystal Structure of Ethyl 2-(6-(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl) Butanoate
Authors:WU Dao-Xin  LUO Fei-Xian  MO Hong-Bo  WANG Xiao-Guang  REN Ye-Guo  SIMPSON Jim  HUANG Ming-Zhi
Abstract:The rifle compound ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-3-oxo-2H-benzob]1,4]oxazin-4(3H)-yl) butanoate 3 was synthesized by the reaction of ethyl 2-(6-amino-7-fluoro-3-oxo-2H-benzob]1,4]oxazin-4(3H)-yl) butanoate with 4,5,6,7-tetraydrophthalic anhydride, and its structure was determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 9.3469(2), b = 16.7715(5), c = 13.7153(4) A, β = 104.9680(10)°, μ = 0.107 mm-1, Mr = 430.42, V = 2077.08(10) A3, Z = 4, Dc = 1.376 g/cm3, F(000) = 904, T = 296(2) K, R = 0.0508 and wR = 0.1478.
Keywords:synthesis  crystal structure  ethyl 2-(6-amino-7-fluoro-3-oxo-2H-benzo[b][1  4]oxazin-4(3H)-yl) butanoate  herbicidal protox inhibitors
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