[RuCl2(η1-Ph2PCH2CH2OCH3)2(1,8-diaminonaphthalene)] | 396130-67-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [RuCl2(η1-Ph2PCH2CH2OCH3)2(1,8-diaminonaphthalene)]
• 英文别名: dichlororuthenium;2-methoxyethyl(diphenyl)phosphane;naphthalene-1,8-diamine
• CAS: 396130-67-9
• 化学式: C₄₀H₄₄Cl₂N₂O₂P₂Ru
• 分子量: 818.725
• InChiKey: CAHYKHHEWZXJHO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.91
• 重原子数：
  49
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  70.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  silver tetrafluoroborate 、 [RuCl2(η1-Ph2PCH2CH2OCH3)2(1,8-diaminonaphthalene)] 以 二氯甲烷 为溶剂， 以64%的产率得到[Ru(η2-Ph2PCH2CH2OCH3)2(1,8-diaminonaphthalene)](BF4)2
  参考文献：
  名称：

  Structural Studies of an Array of Mixed Diamine Phosphine Ruthenium(II) Complexes¹

  摘要：

  Treatment of RuCl2(eta(2) -Ph2PCH2CH2OCH3)(2) with various chelating diamines permitted the isolation of the corresponding RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) complexes in high yield (diamine = 1,2-diaminoethane, 1,2-diaminopropane, 1,3-diaminopropane, 1,2-phenylenediamine, 1,8-diaminonaphthalene, 2,2'-bipyridine, 1,10-phenanthroline). In solution, all complexes prefer the trans-chloro cis-phosphine arrangement, as deduced by NMR spectroscopy. X-ray studies showed that in the solid state all three possible isomers of the octahedral RuCl2P2(diamine) complexes are present. The reaction of the RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) complexes with 1 equiv of AgSbF6, AgBF4, or TIPF6 leads to the abstraction of one chloride by simultaneously coordinating one ether oxygen to ruthenium and forming monocationic [RuCl(eta(1)-Ph2PCH2CH2OCH3)(eta(2)-Ph2PCH2CH2OCH3)(diamine)](+) compounds. If a large excess of silver or thallium salt is used, the dichloro complexes are converted to the [Ru(eta(2)-Ph2PCH2CH2OCH3)(2)(diamine)](2+) dications. In the case of 1,2-phenylendiamine as coligand, the corresponding dication is only observed in traces. NMR spectroscopic investigations and X-ray structural analyses confirm the eta(1) and eta(2) coordination of the ether-phosphine ligands in the corresponding mono- and dicationic ruthenium(II) complexes.

  DOI：

  10.1021/om0105831
• 作为产物：
  描述：

  1,8-二氨基萘 、 trans-dichlorobis((2-methoxyethyl)diphenylphosphine-O,P)ruthenium(II) 以 二氯甲烷 为溶剂， 以84%的产率得到[RuCl2(η1-Ph2PCH2CH2OCH3)2(1,8-diaminonaphthalene)]
  参考文献：
  名称：

  Structural Studies of an Array of Mixed Diamine Phosphine Ruthenium(II) Complexes¹

  摘要：

  Treatment of RuCl2(eta(2) -Ph2PCH2CH2OCH3)(2) with various chelating diamines permitted the isolation of the corresponding RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) complexes in high yield (diamine = 1,2-diaminoethane, 1,2-diaminopropane, 1,3-diaminopropane, 1,2-phenylenediamine, 1,8-diaminonaphthalene, 2,2'-bipyridine, 1,10-phenanthroline). In solution, all complexes prefer the trans-chloro cis-phosphine arrangement, as deduced by NMR spectroscopy. X-ray studies showed that in the solid state all three possible isomers of the octahedral RuCl2P2(diamine) complexes are present. The reaction of the RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) complexes with 1 equiv of AgSbF6, AgBF4, or TIPF6 leads to the abstraction of one chloride by simultaneously coordinating one ether oxygen to ruthenium and forming monocationic [RuCl(eta(1)-Ph2PCH2CH2OCH3)(eta(2)-Ph2PCH2CH2OCH3)(diamine)](+) compounds. If a large excess of silver or thallium salt is used, the dichloro complexes are converted to the [Ru(eta(2)-Ph2PCH2CH2OCH3)(2)(diamine)](2+) dications. In the case of 1,2-phenylendiamine as coligand, the corresponding dication is only observed in traces. NMR spectroscopic investigations and X-ray structural analyses confirm the eta(1) and eta(2) coordination of the ether-phosphine ligands in the corresponding mono- and dicationic ruthenium(II) complexes.

  DOI：

  10.1021/om0105831