三(5-甲基苯并咪唑-2-基甲基)胺 | 1044556-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 三(5-甲基苯并咪唑-2-基甲基)胺
• 英文名称: tris(5-methylbenzimidazol-2-ylmethyl)amine
• 英文别名: 1-(5-Methyl-1H-benzo[d]imidazol-2-yl)-N-((5-methyl-1H-benzo[d]imidazol-2-yl)methyl)-N-((6-methyl-1H-benzo[d]imidazol-2-yl)methyl)methanamine；1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis[(6-methyl-1H-benzimidazol-2-yl)methyl]methanamine
• CAS: 1044556-96-8
• 化学式: C₂₇H₂₇N₇
• 分子量: 449.558
• InChiKey: LEJAZCDFAABCDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  89.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cadmium(II) perchlorate hexahydrate 、 三(5-甲基苯并咪唑-2-基甲基)胺 、 水 以 甲醇 、 乙醇 为溶剂， 以62%的产率得到[aqua(tris(5-methylbenzimidazol-2-ylmethyl)amine)cadmium]-[diaqua(tris(5-methylbenzimidazol-2-ylmethyl)amine)cadmium] tetraperchlorate dihydrate
  参考文献：
  名称：

  Assembly of 1D meso coordination polymer from a chiral mononuclear complex by N-deprotonation of the tris(2-benzimidazolyl) ligand

  摘要：

  The one-dimensional (1D) meso polymeric structure {[Cd-2(HL)(N-3)(2)(H2O)] center dot (DMF)(3)}(n) 2 has been assembled from a propeller-like chiral mononuclear complex {[Cd(H3L)(H2O)][Cd(H3L)(H2O)(2)]}(ClO4)(4) 1 (H3L = tris(5-methyl-2-benzimidazolylmethyl)amine). The assembly process was achieved by the aid of NaN3 which causes N-deprotonation of the 5-methyl-benzimidazole groups and bridges the opposite enantiomers to form 1D meso chain. Both the monomer 1 and polymer 2 have been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, elemental analysis and infrared spectroscopy. The ESI-MS of complex 1 has been studied to understand the assembly process. The photoluminescence measurements of the ligand and the complexes show that the ligand-based emission has been significantly enhanced in the monomer while little changed after polymerization. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.062