O(CH2CH2PCy2)2 | 159191-72-7

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: O(CH2CH2PCy2)2
• 英文别名: Dicyclohexyl-[2-(2-dicyclohexylphosphanylethoxy)ethyl]phosphane；dicyclohexyl-[2-(2-dicyclohexylphosphanylethoxy)ethyl]phosphane
• CAS: 159191-72-7
• 化学式: C₂₈H₅₂OP₂
• 分子量: 466.668
• InChiKey: SNLAFZQFXQWMIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (PCy3)2(Br)2Ru=CHPh 、 O(CH2CH2PCy2)2 以 二氯甲烷 为溶剂， 以86%的产率得到(O(CH2CH2PCy2)2)RuBr2(CHPh)
  参考文献：
  名称：

  Interconversion of Ruthenium-O(CH₂CH₂PCy₂)₂ Alkylidene and Alkylidyne Hydride Complexes

  摘要：

  The species (Cy3P)(2)RuX2(CHPh) (X = Cl, Br) react with the ancillary ligand O(CH2CH2PCy2)(2) to yield the alkylidene species (POP-Cy)RuX2(CHPh) (X = Cl 1, Br 2). Subsequent reaction of 1 and 2 with GaX3 generates the alkylidyne hydride salts [(POP-Cy)RuHX(CPh)][GaX4] (X = Cl 3, Br 4). Treatment of 3 and 4 with the donor ligand pyridine converts these alkylidyne hydrides to the Ru-alkylidene complexes [(POP-Cy)Ru(py)X(CHPh)][GaX4] (X = Cl 5, Br 6). The complexes 5 and 6 are also formed directly by addition of the Lewis acid-base adduct (py)GaX3 to 1 and 2, respectively. The alkylidyne hydride species 3 and 4 are also quantitatively converted back to alkylidene species 1 and 2 by addition of excess Bu4NX (X = Cl, Br), respectively. Similarly treatment of 5 and 6 with [Et3NH]X or [Bu4N]X (X = Cl, Br) resulted in the re-formation of 1 and 2. These data demonstrate that the interconversion of alkylidene and alkylidyne hydride is energetically facile. This view is supported by crystallographic and preliminary DFT data.

  DOI：

  10.1021/om100707a