(Cp(*)Ru)3(μ-H)2(μ3-CH)(μ3-η2-PhCCMe) | 1229002-08-7

• 英文名称: (Cp(*)Ru)3(μ-H)2(μ3-CH)(μ3-η2-PhCCMe)
• 英文别名: (C5Me5Ru)3(hydride)2(methylidyne)(PhCCMe)
• CAS: 1229002-08-7
• 化学式: C₄₀H₅₆Ru₃
• 分子量: 840.095
• InChiKey: BSFJDFBRXDAKSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (Cp(*)Ru)3(μ-H)2(μ3-CH)(μ3-η2-PhCCMe) 以 not given 为溶剂， 以99%的产率得到(Cp(*)Ru)3(μ3-CH)(μ3-η2:η2-PhCCMe)
  参考文献：
  名称：

  Direct Arylation of a Cluster-Bound Alkyne Ligand with Benzene

  摘要：

  Treatment of a triruthenium complex having mu(3)-methylidyne and mu(3)-propyne ligands. (Cp*Ru)(3)(mu(3)-CH)(mu(3)-eta(2)-HCCMe)(mu-H)(2) (6), with benzene results in arylation of the propyne ligand via the C-H bond activation of benzene to yield the mu(3)-phenylmethylacetylene complex (Cp*Ru)(3)(mu(3)-CH)(mu(3)- eta(2):eta(2)(perpendicular to)-PhCCMe) (7). An X-ray diffraction study of 7 clearly established that regiospecific arylation occurred at the terminal position of the propyne ligand.

  DOI：

  10.1021/om100329r
• 作为产物：
  描述：

  (Cp(*)Ru)3(μ3-CH)(μ3-η2:η2-PhCCMe) 、 氢气 以 正庚烷 为溶剂， 以89%的产率得到(Cp(*)Ru)3(μ-H)2(μ3-CH)(μ3-η2-PhCCMe)
  参考文献：
  名称：

  Direct Arylation of a Cluster-Bound Alkyne Ligand with Benzene

  摘要：

  Treatment of a triruthenium complex having mu(3)-methylidyne and mu(3)-propyne ligands. (Cp*Ru)(3)(mu(3)-CH)(mu(3)-eta(2)-HCCMe)(mu-H)(2) (6), with benzene results in arylation of the propyne ligand via the C-H bond activation of benzene to yield the mu(3)-phenylmethylacetylene complex (Cp*Ru)(3)(mu(3)-CH)(mu(3)- eta(2):eta(2)(perpendicular to)-PhCCMe) (7). An X-ray diffraction study of 7 clearly established that regiospecific arylation occurred at the terminal position of the propyne ligand.

  DOI：

  10.1021/om100329r