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  

作　　者：吴道新 罗斐贤 莫洪波 王晓光 任叶果 SIMPSON Jim 黄明智 

机构地区：[1]School of Chemistry and Biological Engineering, Changsha University of Science and Technology,Changsha, Hunan 410076, China [2]Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), Hunan Normal University,Changsha 410081, China [3]National Engineering Research Center for Agrochemicals, Hunan Research Institute of Chemical Industry,Changsha 410007, China [4]Department of Chemistry, University of Otago,PO Box 56, Dunedin, New Zealand

出　　处：《Chinese Journal of Structural Chemistry》2009年第5期585-589,共5页结构化学（英文）

基　　金：Supported by the National Natural Science Foundation of China (20872033, 20575019);Natural Science Foundation of Hunan Province (07JJ1003);Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China) (KLCBTCMR2008-14);Scientific Research Fund of Science and Technology Department of Hunan Province (No. 2006GK3067)

摘　　要：The title compound ethyl 2-（6-（1,3-dioxo-4,5,6,7-tetrahydro-lH-isoindol-2（3H）- yl）-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4（3H）-yl） butanoate 3 was synthesized by the reaction of ethyl 2-（6-amino-7-fluoro-3-oxo-2H-benzo[b][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 P2 1/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.The title compound ethyl 2-（6-（1,3-dioxo-4,5,6,7-tetrahydro-lH-isoindol-2（3H）- yl）-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4（3H）-yl） butanoate 3 was synthesized by the reaction of ethyl 2-（6-amino-7-fluoro-3-oxo-2H-benzo[b][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 P2 1/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.

关 键 词：synthesis crystal structure ethyl 2-（6-amino-7-fluoro-3-oxo-2H-benzo[b][1 4]oxazin-4（3H）-yl） butanoate herbicidal protox inhibitors 

分 类 号：O621.2[理学—有机化学]