4-[2-[2-[2-[4-[8-[4-[2-[2-[2-(2-Methylsulfinylethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]benzonitrile | 888940-08-7

• 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: 4-[2-[2-[2-[4-[8-[4-[2-[2-[2-(2-Methylsulfinylethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]benzonitrile
• 英文别名: 4-[2-[2-[2-[4-[8-[4-[2-[2-[2-(2-methylsulfinylethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]benzonitrile
• CAS: 888940-08-7
• 化学式: C₄₆H₄₉N₃O₉S
• 分子量: 819.976
• InChiKey: BEVGOFWAYKWJNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  59
• 可旋转键数：
  26
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  160
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 Ru(4'-(3,5-bis(tert-butyl)phenyl)-2,2':6',2''-terpyridine)Cl3 、 4-[2-[2-[2-[4-[8-[4-[2-[2-[2-(2-Methylsulfinylethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]benzonitrile 在 lithium chloride 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Photochemistry of a Two-Position Ru(terpy)(phen)(L)²⁺ Scorpionate Complex

  摘要：

  A dissymmetric 1,10-phenanthroline chelate ( N-phen-S) bearing two polyether chains terminated by two monodentate ligands of the benzonitrile (N) and dialkylesulfoxide ( S) types was synthesized, characterized, and coordinated to ruthenium. The corresponding Ru(terpy*)(N-phen-S)(2+) complexes (terpy* = 4'-(3,5-ditertiobutylphenyl)- 2,2'; 6', 2"-terpyridine) were fully characterized as being two coordination isomers of the scorpionate type with one of the two tails occupying the sixth position on the coordination sphere. Photoexpulsion of the coordinated tail led to opening of the ruthena-macrocycle and subsequent rearrangement of the bidentate chelate. This rearrangement consisted of a 90 rotation of the phenanthroline around the ruthenium atom. Selective irradiation of one isomer in a mixture of the two was undertaken using band-pass filters; this resulted in an enrichment of the nonirradiated isomer in the mixture. Thermal back-coordination of the tail was investigated in the dark. It took place quantitatively from the corresponding ruthenium chloride complex by trapping of the anion with silver salts.

  DOI：

  10.1021/ic060029p