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

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摘要 The title compound, C16H11F4N3O2, was synthesized and structurally characterized by elemental analysis, IR, MS, 1H-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) Å, β = 96.610(5)°, V = 3047.9(3) Å3 , Z = 4, Dc = 1.540 g·cm–3, F(000) = 1440, μ(MoKα) = 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.

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	宋娟
	赵娟
	段博峰
	吴睿
	ROY Soumendra

关键词 ： pyrazolo[1,5-a], synthesis, X-ray diffraction, biological activity

Abstract：The title compound, C16H11F4N3O2, was synthesized and structurally characterized by elemental analysis, IR, MS, 1H-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) Å, β = 96.610(5)°, V = 3047.9(3) Å3 , Z = 4, Dc = 1.540 g·cm–3, F(000) = 1440, μ(MoKα) = 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.

Key words： pyrazolo[1,5-a] synthesis X-ray diffraction biological activity

收稿日期: 2019-12-26 出版日期: 2020-11-09

基金资助:Supported by the Key Scientific Research Project of Education Department of Shaanxi Province (17JS027) and the team of syngas catalytic conversion of Shaanxi university of Technology

通讯作者: sj-528@163.com E-mail: sj-528@163.com

引用本文:

宋娟;赵娟;段博峰;吴睿; ROY Soumendra. Synthesis, Crystal Structure and Biological Activity of Ethyl 5-(4-Fluorophenyl)-7-(trifluoromethyl)- pyrazolo[1,5-a]pyrimidine-3-carboxylate[J]. 结构化学, 2020, 39(11): 1973-1977.
SONG Juan;ZHAO Juan;DUAN Bo-Feng;WU Rui;ROY Soumendra. Synthesis, Crystal Structure and Biological Activity of Ethyl 5-(4-Fluorophenyl)-7-(trifluoromethyl)- pyrazolo[1,5-a]pyrimidine-3-carboxylate. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2020, 39(11): 1973-1977.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2020/V39/I11/1973

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