acetonitrile;tert-butyl-(N-tert-butyl-C-phenylcarbonimidoyl)azanide;2-isocyano-2-methylpropane;ruthenium(2+);hexafluorophosphate | 470475-16-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: acetonitrile;tert-butyl-(N-tert-butyl-C-phenylcarbonimidoyl)azanide;2-isocyano-2-methylpropane;ruthenium(2+);hexafluorophosphate
• CAS: 470475-16-2
• 化学式: C₂₉H₄₇N₆Ru*F₆P
• 分子量: 725.767
• InChiKey: XDUVDHLQEXAJKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.25
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  acetonitrile;tert-butyl-(N-tert-butyl-C-phenylcarbonimidoyl)azanide;ruthenium(2+);hexafluorophosphate 、 异氰酸叔丁酯 以 丙酮 为溶剂， 以88%的产率得到acetonitrile;tert-butyl-(N-tert-butyl-C-phenylcarbonimidoyl)azanide;2-isocyano-2-methylpropane;ruthenium(2+);hexafluorophosphate
  参考文献：
  名称：

  Access to Novel Ruthenium−Amidinate Complexes, (η⁶-arene)Ru(η²-amidinate)X and [Ru(η²-amidinate)(MeCN)₄]⁺PF₆^- by Photochemical Displacement of the Benzene Ligand in (η⁶-C₆H₆)Ru(η²-amidinate)X

  摘要：

  Novel ruthenium-amidinate complexes, (eta(6)-C6H5R)Ru(eta(2)-amidinate)X (R = Me, OMe, F) (4) and [Ru(eta(2)-amidinate)(MeCN)(4)]+PF6- (5) are synthesized by photochemical displacement of the benzene ligand in (eta(6)-C6H6)Ru(eta(2)-amidinate)X (3) by arenes or MeCN. The acetonitrile ligands of 5 are easily replaceable by other a-donor ligands (L) such as pyridines, phosphines, and isocyanides to afford the corresponding derivatives, [Ru(eta(2)-amidinate)(MeCN)(n)(L)(4-n)(+)] PF6- (n = 1 or 2).

  DOI：

  10.1021/om020227y