5-hydroxymethyl-2,2'-bipyridine benzoate | 849907-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-hydroxymethyl-2,2'-bipyridine benzoate
• 英文别名: (6-Pyridin-2-ylpyridin-3-yl)methyl benzoate
• CAS: 849907-07-9
• 化学式: C₁₈H₁₄N₂O₂
• 分子量: 290.321
• InChiKey: FGYLEQPGINKPBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 水合三氯化钌 、 5-hydroxymethyl-2,2'-bipyridine benzoate 以 水 、 乙二醇 为溶剂， 生成 fac-tris(5-hydroxymethyl-2,2'-bipyridine benzoate)ruthenium(II) hexafluorophosphate 、 mer-tris(5-hydroxymethyl-2,2'-bipyridine benzoate)ruthenium(II) hexafluorophosphate
  参考文献：
  名称：

  The isolation and secondary functionalisation of the mer- and fac-isomers of tris(5-hydroxymethyl-2,2′-bipyridine) complexes of ruthenium (II)

  摘要：

  Tris-chelate 5-hydroxymethyl-2,2 '-bipyridine complexes of ruthenium (II) and the structurally related benzo- and naphthoesters have been isolated. The mer-isomer of the alcohol functionalised complex has been isolated by selective precipitation from methylene chloride and was subsequently functionalised to the benzoester with retention of the geometrical isomerism. The fac- and merisomeric forms of the ester complexes were separated using preparative plate silica chromatography and characterised by H-1 NMR spectroscopy. X-ray structural analysis of the fac-isomer of both the ester complexes confirmed the product assignment. The photophysical properties of the three isomers were investigated, indicating very similar absorption spectra to [Ru(biPY)(3)](2+). The emission wavelength was comparable in each case, with the aromatic ester complexes giving a much longer lifetime and higher quantum yields. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.10.010