| 1207344-34-0

• CAS: 1207344-34-0
• 化学式: CF₃O₃S*C₂₀H₂₆BN₆Ru
• 分子量: 611.418
• InChiKey: SHLCESXOVAAENK-UHFFFAOYSA-M

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：

  以 acetonitrile 为溶剂， 生成
  参考文献：
  名称：

  Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium−Boron Complex

  摘要：

  A boron-pendant ruthenium Species forms a unique agostic methyl bridge between the boron and ruthenium atoms in the presence of a ligating solvent, acetonitrile. NMR inversion-recovery experiments enabled the activation and equilibrium thermochemistry for formation of the agostic bridge to be measured. The mechanism for bridge formation involves displacement of an acetonitrile ligand; thus, this is a rare example of a case where an agostic C-H ligand competitively displaces another tightly binding ligand from a coordinatively saturated complex. Characterization of this complex gives unique insights into the development of C-H activation catalysis based oil this ligand-metal bifunctional motif.

  DOI：

  10.1021/ja909858a
• 作为产物：
  描述：

  dimethyl(dipyridin-2-yl)boranuide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride 、 silver trifluoromethanesulfonate 、 乙腈 以 acetonitrile 为溶剂， 生成 、
  参考文献：
  名称：

  Thermochemistry and Molecular Structure of a Remarkable Agostic Interaction in a Heterobifunctional Ruthenium−Boron Complex

  摘要：

  A boron-pendant ruthenium Species forms a unique agostic methyl bridge between the boron and ruthenium atoms in the presence of a ligating solvent, acetonitrile. NMR inversion-recovery experiments enabled the activation and equilibrium thermochemistry for formation of the agostic bridge to be measured. The mechanism for bridge formation involves displacement of an acetonitrile ligand; thus, this is a rare example of a case where an agostic C-H ligand competitively displaces another tightly binding ligand from a coordinatively saturated complex. Characterization of this complex gives unique insights into the development of C-H activation catalysis based oil this ligand-metal bifunctional motif.

  DOI：

  10.1021/ja909858a