2-(2,5-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole | 1250980-30-3

• 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-(2,5-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
• 英文别名: 2-(2,6-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
• CAS: 1250980-30-3
• 化学式: C₂₃H₂₀N₂O₂
• 分子量: 356.424
• InChiKey: XZDQHYYRRWDFKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.43
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  47.14
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  联苯甲酰 、 2,6-二甲氧基苯甲醛 在 三乙烯二胺 、 ammonium acetate 作用下， 以 叔丁醇 为溶剂， 以83%的产率得到2-(2,5-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
  参考文献：
  名称：

  DABCO是一种温和高效的催化体系，可通过多组分缩合策略合成高度取代的咪唑

  摘要：

  通过多组分缩合策略缩合1,2-二羰基化合物，醛和乙酸铵或胺，开发了一种简单高效的合成高度取代的咪唑的方法。本方法使取代的咪唑的收率良好至优异。

  DOI：

  10.1016/j.tetlet.2010.07.128

文献信息

• Design and Optimization of Ecofriendly One-Pot Synthesis of 2,4,5-Triaryl-1<i>H</i>-imidazoles by Three-Component Condensation Using Response Surface Methodology
  作者：T. Durai Ananda Kumar、N. Yamini、C. V. S. Subrahmanyam、K. Satyanarayana

  DOI：10.1080/00397911.2014.893359

  日期：2014.8.3

  Phase-transfer-catalyzed, highly versatile, and high-yielding protocol for the synthesis of 2,4,5-triaryl-1H-imidazoles was developed through response surface methodology (RSM). The effects of different solvents, reaction paths, and phase-transfer catalysts (PTCs) in different concentrations were envisioned. Three independent variables (catalyst, catalyst loading, and solvent volume) identified by one-factor-at-a-time (OFAT) study were screened through full factorial design at two levels. The analysis of variance results suggested the significance of catalyst PEG400 and solvent glacial acetic acid at 5 h reaction. The optimum reaction conditions suggested by the RSM were the use of PEG400 (10.61 mol%) and glacial acetic acid (10.71 mL) for 5 h cycloocondensation. The experimental yield of 4,5-diphenyl-2-nitrophenyl-1H-imidazole (97%) was in agreement with predicted yield (97.5%).