Synthesis, Crystal Structure and Biological Activity of 2-((2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)-N-(3-(furan-2-yl)-1-phenyl-1H-pyrazol-5-yl)acetamide  

作　　者：霍静倩 马刘勇 张哲 范志金 张金林 Tetyana Beryozkina Vasiliy A.Bakulev 

机构地区：[1]College of Plant Protection, Agricultural University of Hebei [2]State Key Laboratory of Elemento-organic Chemistry, Nankai University [3]Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) [4]TOS Lab. of Ural Federal University Named after the First President of Russia B. N. Yeltsin

出　　处：《Chinese Journal of Structural Chemistry》2016年第7期1011-1018,共8页结构化学（英文）

基　　金：funded by the National Natural Science Foundation of China(31171877);the International Science&Technology Cooperation Program of China(No.2014DFR41030)

摘　　要：The title compound 2-（（2,2-dimethyl-2,3-dihydrobenzofuran-7-yl）oxy）-N-（3-（furan-2-yl）-1-phenyl-1H-pyrazol-5-yl） acetamide（C25H23N3O4, Mr = 429.46） has been synthesized, and its structure was characterized by 1H-NMR, 13C-NMR, H RMS, and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 20.6205（18）, b = 5.2930（5）, c = 18.9282（17） A, β = 94.089（2）°, V = 2060.6（3） A^3, Z = 4, Dc = 1.384 g/cm^3, μ（Mo Ka） = 0.71073 mm^-1, F（000） = 904, R = 0.0345 and w R = 0.0930. The intramolecular hydrogen bond at N（1）–H（1）…O（2）, intermolecular weak interactions at O（3）…H（4） and weak π-π interactions connected the molecules to lead to one-dimensional tapes. Bioassay results indicated that the title compound had moderate herbicidal and fungicidal activities.The title compound 2-（（2,2-dimethyl-2,3-dihydrobenzofuran-7-yl）oxy）-N-（3-（furan-2-yl）-1-phenyl-1H-pyrazol-5-yl） acetamide（C25H23N3O4, Mr = 429.46） has been synthesized, and its structure was characterized by 1H-NMR, 13C-NMR, H RMS, and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 20.6205（18）, b = 5.2930（5）, c = 18.9282（17） A, β = 94.089（2）°, V = 2060.6（3） A^3, Z = 4, Dc = 1.384 g/cm^3, μ（Mo Ka） = 0.71073 mm^-1, F（000） = 904, R = 0.0345 and w R = 0.0930. The intramolecular hydrogen bond at N（1）–H（1）…O（2）, intermolecular weak interactions at O（3）…H（4） and weak π-π interactions connected the molecules to lead to one-dimensional tapes. Bioassay results indicated that the title compound had moderate herbicidal and fungicidal activities.

关 键 词：benzofuran pyrazole furan crystal structure biological activity 

分 类 号：O626[理学—有机化学]