1,3,5-tris[(1H-benzimidazol-1-yl)methyl]-2,4,6-trimethoxybenzene | 1570129-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,3,5-tris[(1H-benzimidazol-1-yl)methyl]-2,4,6-trimethoxybenzene
• 英文别名: 1,3,5-Tris(benzimidazol-1-ylmethyl)-2,4,6-trimethoxybenzene；1-[[3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethoxyphenyl]methyl]benzimidazole
• CAS: 1570129-27-9
• 化学式: C₃₃H₃₀N₆O₃
• 分子量: 558.64
• InChiKey: RWOAMMRTHVJPBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯并咪唑 、 1,3,5-三(溴甲基)-2,4,6-(三甲氧基)苯 在 sodium hydride 作用下， 以 乙腈 、 mineral oil 为溶剂， 反应 72.5h， 以88%的产率得到1,3,5-tris[(1H-benzimidazol-1-yl)methyl]-2,4,6-trimethoxybenzene
  参考文献：
  名称：

  Synthesis of Tripodal and Hexapodal Pyrazole- and Benzimidazole-Bearing Compounds

  摘要：

  The syntheses of eight new tripodal and hexapodal benzimidazole- and pyrazole-bearing compounds, which are all potentially applicable for use as artificial receptors, are described. The prepared compounds contain either bromo-substituted heteroaromatic rings, able to participate in halogen-bonding interactions, or their analogues lacking the bromo substituents. Furthermore, the preparation of a new trisbenzimidazolium cage is included in this work. All used practical synthetic procedures are facilely accomplishable and provide the products in good to excellent yields. In addition, slightly modified, simplified synthetic procedures for five known tripodal compounds, which lead to better yields than those previously reported, are also detailed.

  DOI：

  10.1055/s-0033-1338518