| 194300-64-6

• CAS: 194300-64-6
• 化学式: C₃₆H₃₉PRu
• 分子量: 603.749
• InChiKey: KAKMFTURHLXGJT-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

• 作为产物：
  描述：

  Cp*RuCl(CCHPh)(PPh3) 、 氢气 在 Et₃N 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Reaction of the in-Situ-Generated Ruthenium−Acetylide Complex C₅Me₅Ru(PPh₃)C⋮CPh with Small Molecules

  摘要：

  A coordinatively unsaturated acetylide species C5Me5Ru(PPh3)C=CPh (1) was generated in situ from the reaction of ruthenium-vinylidene complex C5Me5Ru(Cl)(PPh3)=C=CHPh (2) with Et3N. The vinylidene complex 2 was prepared from the substitution. reaction of C5Me5Ru(PPh3)(2)Cl with PhC=CH. The in-situ-generated 1 was found to react readily with a variety of small molecules. For example, the reaction of 1 with CO produced the stable adduct C5Me5Ru(CO)(PPh3)C=CPh (3) in 85% yield, the structure of which was established by X-ray crystallography. The similar reactions of 1 with H-2 and PhC=CPh also gave the hydride complex C5Me5Ru(PPh3)(H)(H2C=CHPh) (4) (76% yield) and the alkyne complex C5Me5Ru(PPh3)(PhC=CPh)C=CPh (5) (85% yield), respectively. The reaction of 1 with CO2 produced the carboxylate complex C5Me5Ru(PPh3)(eta(2)-O2CC=CPh) (6) from the insertion of CO2 to the ruthenium-acetylide carbon bond.

  DOI：

  10.1021/om9705012