2-[4'-(1'-methylpyridyl)]-pyrrolo[3,2-h]quinolinium iodide | 260393-93-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-[4'-(1'-methylpyridyl)]-pyrrolo[3,2-h]quinolinium iodide
• 英文别名: 2-(1-methylpyridin-1-ium-4-yl)-1H-pyrrolo[3,2-h]quinoline;iodide
• CAS: 260393-93-9
• 化学式: C₁₇H₁₄N₃*I
• 分子量: 387.223
• InChiKey: XDGMFXMFTJNVPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  32.56
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 dichlorobis(2,2'-bipyridine-d8)ruthenium(II) 、 2-[4'-(1'-methylpyridyl)]-pyrrolo[3,2-h]quinolinium iodide 以 乙醇 、 水 为溶剂， 以77%的产率得到[Ru(2-[4'-(1'-methylpyridinylidene)]-2H-pyrro[3,2-h]quinoline)(2,2'-bipyridine-d8)2](PF6)2
  参考文献：
  名称：

  Bidentate Ligands That Contain Pyrrole in Place of Pyridine

  摘要：

  A series of ligands are prepared that are analogues of benzo-fused derivatives of 2,2'-bipyridine (bpy), in which pyrrole has been substituted for a pyridine ring. These ligands include 2-(2'-pyridyl)-indole, 2-(2'-pyrrolyl)-quinoline, and pyrrolo[3,2-h]quinoline. A novel reductive cyclization approach to the latter species is presented. All these ligands react with [Ru(bpy-d(8))(2)Cl-2], undergoing cyclometalation with concurrent deprotonation, to form complexes of the type [Ru(L)(bpy-d(8))(2)](+) where L binds as a monoanionic ligand. The complexes are readily characterized by their H-1 NMR spectra. Changes in the odor potentials and the electronic absorption spectra of both the ligands and the complexes are interpreted in terms of charge delocalization on the ligand.

  DOI：

  10.1021/ic990445s