| 942207-86-5

• CAS: 942207-86-5
• 化学式: C₄₃H₃₆ClNOsP₂
• 分子量: 854.366
• InChiKey: IAWRJLYFCSNPGV-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

• 作为产物：
  描述：

  2-乙烯基吡啶 、 dichlorotris(triphenylphosphine)osmium(II) 在 Cs₂CO₃ 作用下， 以 二氯甲烷 为溶剂， 生成 、
  参考文献：
  名称：

  Cyclometalation of 2-Vinylpyridine with MCl₂(PPh₃)₃ and MHCl(PPh₃)₃ (M = Ru, Os)

  摘要：

  Treatment of RuCl2(PPh3)(3) in benzene at room temperature with 2-vinylpyridine produces the vinylpyridine complex RuCl2(2-CH2CHC5H4N)(PPh3)(2). In the presence of Cs2CO3, RuCl2(PPh3)(3) reacts with 2-vinylpyridine at room temperature to give the cyclometalated complex RuCl(CHCHC5H4N)(CH2CHC5H4N)(PPh3), which is also produced from the reaction of RuHCl(PPh3)(3) with 2-vinylpyridine. OsCl2(PPh3)(3) reacts with 2-vinylpyridine/Cs2CO3 at room temperature to give the analogous cyclometalated complex OsCl(CHCHC5H4N)(CH2CHC5H4N)(PPh3). In the presence of NaBF4, the reaction produces [Os(CHCHC5H4N)(CH2CHC5H4N)(PPh3)(2)]BF4. The dihydrogen complex Os(H-2)Cl(CHCHC5H4N)(PPh3)(2) is produced from the reaction of OsHCl(PPh3)(3) with 2-vinylpyridine. The mechanism of the cyclometalation reactions has been investigated by computational chemistry.

  DOI：

  10.1021/om0611305