4-(4-(4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)1H-imidazol-1-yl)phenoxy)phthalonitrile | 1415504-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-(4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)1H-imidazol-1-yl)phenoxy)phthalonitrile
• CAS: 1415504-22-1
• 化学式: C₃₈H₂₈N₄O₄
• 分子量: 604.665
• InChiKey: DYKWYHPZSWVWBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.43
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  102.32
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲腈 、 4-(4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-1-yl)phenol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以89%的产率得到4-(4-(4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)1H-imidazol-1-yl)phenoxy)phthalonitrile
  参考文献：
  名称：

  Synthesis and characterization of new metallophthalocyanines bearing highly substituted imidazoles

  摘要：

  New mono-nuclear metallophthalocyanines = Co, Cu, Ni, and Zn) I-V bearing highly substituted imidazole moieties at peripheral positions have been synthesized from derivatives of 44442,4,5-triphenyl-1H-imidazol-1-yl)phenoxy]phthalonitrile at reflux temperature. These complexes have been characterized by UV/Vis, FT-IR, H-1 NMR, MALDI-TOF mass spectrometry, and thermogravimetric analysis. The aggregation behavior of these complexes was investigated under different conditions. Phthalocyanines I, III, IV, and V show monomeric behavior in solution and phthalocyanine V has the highest molar extinction coefficient in the visible region. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.071