2-(3,4,5-trimethoxyphenyl)-1-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole | 1618680-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3,4,5-trimethoxyphenyl)-1-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole
• 英文别名: 1-(4-Fluorophenyl)-4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)imidazole
• CAS: 1618680-85-5
• 化学式: C₃₀H₂₅FN₂O₃
• 分子量: 480.539
• InChiKey: PQOUAQPGDZABGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 、 联苯甲酰 、 4-氟苯胺 在 ammonium acetate 、 溶剂黄146 作用下， 以83%的产率得到2-(3,4,5-trimethoxyphenyl)-1-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole
  参考文献：
  名称：

  Synthesis Characterization and Crystal Structure of 2-(3,4,5-trimethoxyphenyl)-1-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole

  摘要：

  The title compound, C30H25FN2O3, was prepared from the four-component one-pot condensation reaction and the product crystallized using dimethylformamide. The structure of the compound was established by elemental analysis, Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), UV-Visible, and single-crystal X-ray diffraction. The compound crystallizes in the triclinic crystal system with the space group P (i) over bar, with unit cell parameters a = 10.286(2) angstrom, b = 11.795(2) angstrom, c = 21.331(4) angstrom, alpha = 100.270(3)degrees, beta = 90.093(3)degrees, gamma = 90.062(3)degrees, and Z = 4. The crystal and molecular structure of the title molecule is stabilized by intra-molecular interactions of types C-H center dot center dot center dot N and C-H center dot center dot center dot O.

  DOI：

  10.1080/15421406.2013.875761