1,1'-di[4-(4,5-diazafluoren-9-ylimino)phenoxymethyl]-1'',1'''-di[(4,5-diazafluoren-9-yliminoxy)methyl]methane | 1638251-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1,1'-di[4-(4,5-diazafluoren-9-ylimino)phenoxymethyl]-1'',1'''-di[(4,5-diazafluoren-9-yliminoxy)methyl]methane
• CAS: 1638251-90-7
• 化学式: C₆₁H₄₀N₁₂O₄
• 分子量: 1005.07
• InChiKey: XROMXYICWNZFRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.49
• 重原子数：
  77.0
• 可旋转键数：
  14.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  189.48
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  Ru(2,2'-bipyridine)₂Cl₂*2H2O 、 ammonium hexafluorophosphate 、 1,1'-di[4-(4,5-diazafluoren-9-ylimino)phenoxymethyl]-1'',1'''-di[(4,5-diazafluoren-9-yliminoxy)methyl]methane 以 乙二醇甲醚 、 甲醇 、 水 为溶剂， 反应 12.0h， 以41.2%的产率得到[(2,2'-bipyridine)₈Ru₄(1,1'-di[4-(4,5-diazafluoren-9-ylimino)phenoxymethyl]-1'',1'''-di[(4,5-diazafluoren-9-yliminoxy)methyl]methane)](PF₆)₈
  参考文献：
  名称：

  Preparation, Spectroscopic, and Electrochemical Properties of Two 4,5-Diazafluorene-Containing Ruthenium(II) Complexes: Bridging Ligands Composed of Two Kinds of Nonequivalent Coordinating Sites

  摘要：

  Two tetrapodal ligands L-1 and L-2 containing 4,5-diazafluorene fragments have been prepared and characterized. Both ligands are composed of two kinds of nonequivalent coordinating sites. Ligand L-1 consists of the 4-(4,5-diazafluoren-9-ylimino)phenoxy and 4,5-diazafluoren-9-yliminoxy moieties, ligand L-2 involves the 2-(4,5-diazafluoren-9-ylimino)phenoxy and 4,5-diazafluoren-9-yliminoxy moieties. The Ru(II) complexes [(bpy)(8)Ru-4(L-1)](PF6)(8) and [(bpy)(8)Ru-4(L-2)](PF6)(8) (bpy = 2,2-bipyridine) have been synthesized by refluxing Ru(bpy)(2)Cl-2 center dot 2H(2)O and each ligand in 2-methoxyethanol. Both complexes exhibit metal-to-ligand charge transfer absorptions at around 443nm, and emission at around 577nm. Electrochemical studies of both complexes display one Ru(II)-centered oxidation at around 1.32V and four ligand-centered reductions.

  DOI：

  10.1080/15533174.2013.809750
• 作为产物：
  描述：

  1,1'-di[4-(4,5-diazafluoren-9-ylimino)phenoxymethyl]-1'',1'''-di(p-tosyloxymethyl)methane 、 5H-Cyclopenta[2,1-b:3,4-b']dipyridin-5-one, oxime 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以21.9%的产率得到1,1'-di[4-(4,5-diazafluoren-9-ylimino)phenoxymethyl]-1'',1'''-di[(4,5-diazafluoren-9-yliminoxy)methyl]methane
  参考文献：
  名称：

  Preparation, Spectroscopic, and Electrochemical Properties of Two 4,5-Diazafluorene-Containing Ruthenium(II) Complexes: Bridging Ligands Composed of Two Kinds of Nonequivalent Coordinating Sites

  摘要：

  Two tetrapodal ligands L-1 and L-2 containing 4,5-diazafluorene fragments have been prepared and characterized. Both ligands are composed of two kinds of nonequivalent coordinating sites. Ligand L-1 consists of the 4-(4,5-diazafluoren-9-ylimino)phenoxy and 4,5-diazafluoren-9-yliminoxy moieties, ligand L-2 involves the 2-(4,5-diazafluoren-9-ylimino)phenoxy and 4,5-diazafluoren-9-yliminoxy moieties. The Ru(II) complexes [(bpy)(8)Ru-4(L-1)](PF6)(8) and [(bpy)(8)Ru-4(L-2)](PF6)(8) (bpy = 2,2-bipyridine) have been synthesized by refluxing Ru(bpy)(2)Cl-2 center dot 2H(2)O and each ligand in 2-methoxyethanol. Both complexes exhibit metal-to-ligand charge transfer absorptions at around 443nm, and emission at around 577nm. Electrochemical studies of both complexes display one Ru(II)-centered oxidation at around 1.32V and four ligand-centered reductions.

  DOI：

  10.1080/15533174.2013.809750