Citation: Juan SONG, Juan ZHAO, Bo-Feng DUAN, Rui WU, Soumendra ROY. Synthesis, Crystal Structure and Biological Activity of Ethyl 5-(4-Fluorophenyl)-7-(trifluoromethyl)-pyrazolo[1, 5-a]pyrimidine-3-carboxylate[J]. Chinese Journal of Structural Chemistry, ;2020, 39(11): 1973-1977. doi: 10.14102/j.cnki.0254–5861.2011–2720 shu

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

Shaanxi Key Laboratory of Catalysis, College of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong 723001, China

Corresponding author: Juan SONG, sj-528@163.com Soumendra ROY, soumya029@yahoo.in
Received Date: 26 December 2019
Accepted Date: 25 March 2020

Fund Project: the Key Scientific Research Project of Education Department of Shaanxi Province 17JS027

Figures(3)

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, D_c = 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.
- pyrazolo[1, 5-a],
- synthesis,
- X-ray diffraction,
- biological activity
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