2,9-bis(dibutyl-1,2,4-triazin-3-yl)-1,10-phenanthroline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2,9-bis(dibutyl-1,2,4-triazin-3-yl)-1,10-phenanthroline
• 英文别名: 2,9-Bis(5,6-dibutyl-1,2,4-triazin-3-yl)-1,10-phenanthroline；2,9-bis(5,6-dibutyl-1,2,4-triazin-3-yl)-1,10-phenanthroline
• 化学式: C₃₄H₄₂N₈
• 分子量: 562.761
• InChiKey: AWFZBOGATVPKKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  42
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,10-phenanthroline-2,9-dicarboxaldehyde-2,9-dioxime 在 吡啶 、 一水合肼 、 三乙胺 、 对甲苯磺酰氯 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 反应 240.0h， 生成 2,9-bis(dibutyl-1,2,4-triazin-3-yl)-1,10-phenanthroline
  参考文献：
  名称：

  Tuning the Solubilities of Bis-triazinylphenanthroline Ligands (BTPhens) and Their Complexes

  摘要：

  A series of bis-triazinylphenanthroline ligands (BTPhens) was synthesized by modifying the triazine substituents. It was found that varying these substituents altered the solubilities of the ligands in a number of non-polar solvents. Thus C5-BTPhen showed significantly higher solubility in octanol than C1-BTPhen. The high solubility of C5-BTPhen and its complexes was exploited to facilitate the NMR titration experiments. These experiments shown that the dominant species in solution were the 1:2 complexes [Ln(III)(BTPhen)(2)], even at high Ln concentrations, and that the relative stability of the 2:1 to 1:1 BTPhen-Ln complexes varied with different lanthanides. C5-BTPhen therefore shows considerable promise for a once-through selective actinide separation process.

  DOI：

  10.3987/com-12-s(n)102

文献信息

• Tuning the Solubilities of Bis-triazinylphenanthroline Ligands (BTPhens) and Their Complexes
  作者：Laurence M. Harwood、Dominic M. Laventine、Ashfaq Afsar、Michael J. Hudson

  DOI：10.3987/com-12-s(n)102

  日期：——

  A series of bis-triazinylphenanthroline ligands (BTPhens) was synthesized by modifying the triazine substituents. It was found that varying these substituents altered the solubilities of the ligands in a number of non-polar solvents. Thus C5-BTPhen showed significantly higher solubility in octanol than C1-BTPhen. The high solubility of C5-BTPhen and its complexes was exploited to facilitate the NMR titration experiments. These experiments shown that the dominant species in solution were the 1:2 complexes [Ln(III)(BTPhen)(2)], even at high Ln concentrations, and that the relative stability of the 2:1 to 1:1 BTPhen-Ln complexes varied with different lanthanides. C5-BTPhen therefore shows considerable promise for a once-through selective actinide separation process.