新型含吡唑基的查尔酮的合成、表征及晶体结构

Synthesis, Characterization and Single Crystal Structures of Pyrazol-4-yl-contaning Chalcone Compounds

以2种1-苯基-3-甲基-5-对甲苯氧基-吡唑-4-甲醛为原料,在强碱条件下与苯乙酮(取代苯乙酮)发生羟醛缩合,高产率地合成出10种新型含吡唑基的查尔酮.化合物的结构经元素分析,IR和1HNMR确认.并用X射线衍射法测定了化合物4c的晶体结构.化合物4c属三斜晶系,空间群P-1,晶胞参数:a=1.0225(2)nm,b=1.4263(3)nm,c=1.6718(3)nm,α=110.32(3)°,β=106.30(3)°,γ=98.11(3)°,Mr=428.90,V=2.1159(7)nm3,Dc=1.346Mg/m3,Z=2,F(000)=896.

Ten chalcones were synthesized by aldol condensation reaction of acetophenone or para-substituted acetophenones with 1-phenyl-3-methyl-5-phenoxylpyrazole-4-aldehyde in the strong alkali condition. The structures were characterized by elemental analysis, 1R, 1H NMR spectra, and the structure of 4c was confirmed by X-ray single-crystal diffraction analysis. The crystal of the compound 4c belongs to tri- clinic, space group P-1 with cell parameters a=1.0225（2） nm, b=1.4263（3） nm, c=1.6718（3） nm, α= 110.32（3）°, β= 106.30（3）°, γ=98.11（3）°, Mr=428.90, V=2.1159（7） nm^3, De= 1.346 Mg/m^3, Z=2, and F（000） = 896.