2-((2-pyridylmethylamino)ethyl)benzimidazole

• 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: 2-((2-pyridylmethylamino)ethyl)benzimidazole
• 英文别名: pymaeb；2-(1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
• 化学式: C₁₅H₁₆N₄
• 分子量: 252.319
• InChiKey: SYRANVKIMVKFLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ruthenium trichloride 、 2-((2-pyridylmethylamino)ethyl)benzimidazole 、 sodium dipicolinate 以 甲醇 、 水 为溶剂， 反应 3.0h， 以46%的产率得到[Ru(pymieb)(pydic)]
  参考文献：
  名称：

  Synthesis, single crystal structure and efficient catalysis for alcohol oxidation of a novel Ru(II) complex with both a N,N,N-tridentate ligand and a pyridinedicarboxylate

  摘要：

  A novel N,N,N-tridentate ligand known as 2-(2-pyridylmethylamino)ethylbenzimidazole (pymaeb) was designed and synthesized. This ligand in combination with disodium pyridine-2,6-dicarboxylate (pydic) reacted with RuCl3 to afford a novel complex Ru[2-(2-pyridymethylimino)ethylbenzimidazole] pyridinedicarboxylate [Ru(pymieb)(pydic)] which was characterized by NMR, IR, HR-MS and single crystal X-ray diffraction. Crystal structure analysis revealed that the complex has a distorted octahedral geometry. The complex showed excellent activity for the oxidation of various alcohols with TBHP as oxidation under mild and solvent-free conditions. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.08.047
• 作为产物：
  描述：

  Boc-NH-CH2-CH2-Bid 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 3.75h， 生成 2-((2-pyridylmethylamino)ethyl)benzimidazole
  参考文献：
  名称：

  Synthesis, single crystal structure and efficient catalysis for alcohol oxidation of a novel Ru(II) complex with both a N,N,N-tridentate ligand and a pyridinedicarboxylate

  摘要：

  A novel N,N,N-tridentate ligand known as 2-(2-pyridylmethylamino)ethylbenzimidazole (pymaeb) was designed and synthesized. This ligand in combination with disodium pyridine-2,6-dicarboxylate (pydic) reacted with RuCl3 to afford a novel complex Ru[2-(2-pyridymethylimino)ethylbenzimidazole] pyridinedicarboxylate [Ru(pymieb)(pydic)] which was characterized by NMR, IR, HR-MS and single crystal X-ray diffraction. Crystal structure analysis revealed that the complex has a distorted octahedral geometry. The complex showed excellent activity for the oxidation of various alcohols with TBHP as oxidation under mild and solvent-free conditions. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.08.047