1-(anthracen-9-ylmethyl)-N-(2-hydroxynaphth-1-ylmethylidene)-1H-benzimidazol-2-amin | 1356928-90-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(anthracen-9-ylmethyl)-N-(2-hydroxynaphth-1-ylmethylidene)-1H-benzimidazol-2-amin
• CAS: 1356928-90-9
• 化学式: C₃₃H₂₃N₃O
• 分子量: 477.565
• InChiKey: FHTJRCDKWZFDQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.0
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  50.41
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-N-(anthracen-9-ylmethyl)benzene-1,2-diamine 在 溶剂黄146 作用下， 以 正丁醇 为溶剂， 反应 0.5h， 生成 1-(anthracen-9-ylmethyl)-N-(2-hydroxynaphth-1-ylmethylidene)-1H-benzimidazol-2-amin
  参考文献：
  名称：

  Effective pH sensors based on 1-(anthracen-9-ylmethyl)-1H-benzimidazol-2-amine

  摘要：

  1-(Anthracen-9-ylmethyl)-1H-benzimidazol-2-amine was synthesized by alkylation of benzimidazol-2-amine with 9-chloromethylanthracene, and a series of azomethines based on it was obtained. Spectral investigations of the 9-anthrylmethylbenzimidazole derivatives revealed their high chemosensor activity with respect to hydrogen cations. Quantum-chemical investigation of the structures obtained showed that they possess high proton affinity and can be regarded as analogs of "proton sponges".

  DOI：

  10.1007/s10593-012-0898-1