Synthesis, Crystal Structure and Biological Activity of Ethyl 5-(4-Fluorophenyl)-7-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate  

作　　者：SONG Juan ZHAO Juan DUAN Bo-Feng WU Rui Roy Soumendra 

机构地区：[1]Shaanxi Key Laboratory of Catalysis,College of Chemical&Environment Science,Shaanxi University of Technology,Hanzhong 723001,China

出　　处：《Chinese Journal of Structural Chemistry》2020年第11期1973-1977,共5页结构化学（英文）

基　　金：Supported by the Key Scientific Research Project of Education Department of Shaanxi Province (17JS027);the team of syngas catalytic conversion of Shaanxi university of Technology。

摘　　要：The title compound, C16H11F4N3O2, was synthesized and structurally characterized by elemental analysis, IR, MS, 1 H-NMR and single-crystal X-ray diffraction. This compound has a pyrazolo[1,5-a]pyrimidine skeleton, and it crystallizes in monoclinic system, space group P21/c with a = 20.8547(12), b = 20.5558(10), c = 7.1575(4) ?, β = 96.610(5)°, V = 3047.9(3) ?3, Z = 4, Dc = 1.540 g·cm-3, F(000) = 1440, μ(Mo Kα) = 0.14 mm-1, R = 0.0546 and wR = 0.1276 for 5370 reflections with I > 2σ(I). In addition, biological activity determination results indicated that the title compound exhibited poor inhibitory activity on MKN45 and H460 cancer cell lines.

关 键 词：pyrazolo[1 5-a] SYNTHESIS X-ray diffraction biological activity 

分 类 号：TQ463[化学工程—制药化工]