2,9-di-n-butyl-1,10-phenanthroline-5-tetrahydropyranyl thioether | 194923-18-7

• 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-di-n-butyl-1,10-phenanthroline-5-tetrahydropyranyl thioether
• 英文别名: 1,10-Phenanthroline, 2,9-dibutyl-5-[(tetrahydro-2H-pyran-2-yl)thio]-；2,9-dibutyl-5-(oxan-2-ylsulfanyl)-1,10-phenanthroline
• CAS: 194923-18-7
• 化学式: C₂₅H₃₂N₂OS
• 分子量: 408.608
• InChiKey: RFBKMDNBLZVWJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,9-di-n-butyl-1,10-phenanthroline-5-tetrahydropyranyl thioether 在 硫化氢 、 silver nitrate 作用下， 生成 2,9-Dibutyl-[1,10]phenanthroline-5-thiol
  参考文献：
  名称：

  Preparation of Novel, Functionalized 1,10-Phenanthrolines

  摘要：

  The preparation of hydrophilic 2,9-diatkyl-1,10-phenanthrolines, including phenanthroline-5-sulfonic acids and phenanthrolines with side chain functionality is described. Nucleophilic aromatic substitution chemistry is used to obtain regiochemically defined phenanthroline sulfonic acids by much simpler means than have been available in the past.

  DOI：

  10.1080/00397919708005000
• 作为产物：
  描述：

  5-氯-1,10-菲咯啉 在 氢气 、 乙硫醇钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 2,9-di-n-butyl-1,10-phenanthroline-5-tetrahydropyranyl thioether
  参考文献：
  名称：

  Preparation of Novel, Functionalized 1,10-Phenanthrolines

  摘要：

  The preparation of hydrophilic 2,9-diatkyl-1,10-phenanthrolines, including phenanthroline-5-sulfonic acids and phenanthrolines with side chain functionality is described. Nucleophilic aromatic substitution chemistry is used to obtain regiochemically defined phenanthroline sulfonic acids by much simpler means than have been available in the past.

  DOI：

  10.1080/00397919708005000

文献信息

• Preparation of Novel, Functionalized 1,10-Phenanthrolines
  作者：Janette M. Mathis、Alexander J. Pallenberg

  DOI：10.1080/00397919708005000

  日期：1997.9

  The preparation of hydrophilic 2,9-diatkyl-1,10-phenanthrolines, including phenanthroline-5-sulfonic acids and phenanthrolines with side chain functionality is described. Nucleophilic aromatic substitution chemistry is used to obtain regiochemically defined phenanthroline sulfonic acids by much simpler means than have been available in the past.