| 866825-33-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 866825-33-4
• 化学式: C₆₁H₅₀P₄RuS₂
• 分子量: 1072.17
• InChiKey: KRQMNZWAWYWMKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.77
• 重原子数：
  68.0
• 可旋转键数：
  12.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  以 甲苯 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex:  Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process

  摘要：

  The synthesis and X-ray crystal structure of a new (S,C,S)-based carbene ruthenium complex (2) are presented. The thermally promoted rearrangement of this new complex to complex 3 involves a reverse a-hydride migration, which has been investigated by DFT calculations.

  DOI：

  10.1021/om0504194
• 作为产物：
  描述：

  dichlorotetrakis(triphenylphosphine)ruthenium(II) 、 lithium bis(diphenylthiophosphinoyl)methanediide 以 甲苯 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex:  Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process

  摘要：

  The synthesis and X-ray crystal structure of a new (S,C,S)-based carbene ruthenium complex (2) are presented. The thermally promoted rearrangement of this new complex to complex 3 involves a reverse a-hydride migration, which has been investigated by DFT calculations.

  DOI：

  10.1021/om0504194

文献信息

• Transmetalation of a nucleophilic carbene fragment: from early to late transition metals
  作者：Marie Fustier-Boutignon、Hadrien Heuclin、Xavier Frédéric Le Goff、Nicolas Mézailles

  DOI：10.1039/c2cc17934b

  日期：——

  Early transition metal nucleophilic carbene complexes have been used as stoichiometric carbene transfer agents in a transmetalation process.

  早期过渡金属亲核卡宾配合物已被用作金属转移过程中的化学计量卡宾转移剂。