[RuCl(norbornadiene)(2,6-(Ph2PCH2)3C6H3)] | 474055-87-3

• 英文名称: [RuCl(norbornadiene)(2,6-(Ph2PCH2)3C6H3)]
• CAS: 474055-87-3
• 化学式: C₃₉H₃₅ClP₂Ru
• 分子量: 702.177
• InChiKey: BGBMRPXTIWKKRP-XDWRCRRRSA-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：

  [RuCl(norbornadiene)(2,6-(Ph2PCH2)3C6H3)] 、 thallium(I) acetate 以 二氯甲烷 为溶剂， 以88%的产率得到[Ru(acetato)(PPh3)(2,6-(Ph2PCH2)3C6H3)]
  参考文献：
  名称：

  Synthesis and Protonation of [RuH(NBD)(2,6-(Ph₂PCH₂)₂C₆H₃)]

  摘要：

  Treatment of [RuCl(PPh3)(PCP)] (PCP = 2,6-(Ph2PCH2)(2)C6H3) With norbornadiene (NBD,) in the presence of CuCl produces [RuCl(NBD)(PCP)]. Reaction of [RuCl(NBD)(PCP)1 with TlOTf gives [Ru(OTf)(NBD)(PCP)], which reacts with NaBH4 to produce [RuH(NBD)(PCP)]. Protonation of [RuH(NBD)(PCP)l with acetic acid in the presence of PPh3 gives norbornene and [Ru(OAc)(PPh3)(PCP)]. Protonation of [RuH(NBD)(PCP)] with HOTf gives norbornene and [Ru(OTf)(NBD)(PCP)]. Protonation of [RuH(NBD)(PCP)l with HOTf in the presence of MeCN gives norbornene, [Ru(MeCN)(NBD)(PCP)]OTf, and [Ru(MeCN)3(PCP)]OTf. In the protonation reactions, the NBD is likely hydrogenated through the dihydrogen intermediate [Ru(H-2)(NBD)(PCP)](+). A computational study shows that hydrogen transfer from the dihydrogen to the NBD ligand of [Ru(H-2)(NBD)(PCP)](+) proceeds through a stepwise mechanism.

  DOI：

  10.1021/om020521q
• 作为产物：
  描述：

  [1,3-(Ph2PCH2)2C6H3-2-Ru(Cl)PPh3] 、 2,5-降冰片二烯 在 CuCl 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到[RuCl(norbornadiene)(2,6-(Ph2PCH2)3C6H3)]
  参考文献：
  名称：

  Synthesis and Protonation of [RuH(NBD)(2,6-(Ph₂PCH₂)₂C₆H₃)]

  摘要：

  Treatment of [RuCl(PPh3)(PCP)] (PCP = 2,6-(Ph2PCH2)(2)C6H3) With norbornadiene (NBD,) in the presence of CuCl produces [RuCl(NBD)(PCP)]. Reaction of [RuCl(NBD)(PCP)1 with TlOTf gives [Ru(OTf)(NBD)(PCP)], which reacts with NaBH4 to produce [RuH(NBD)(PCP)]. Protonation of [RuH(NBD)(PCP)l with acetic acid in the presence of PPh3 gives norbornene and [Ru(OAc)(PPh3)(PCP)]. Protonation of [RuH(NBD)(PCP)] with HOTf gives norbornene and [Ru(OTf)(NBD)(PCP)]. Protonation of [RuH(NBD)(PCP)l with HOTf in the presence of MeCN gives norbornene, [Ru(MeCN)(NBD)(PCP)]OTf, and [Ru(MeCN)3(PCP)]OTf. In the protonation reactions, the NBD is likely hydrogenated through the dihydrogen intermediate [Ru(H-2)(NBD)(PCP)](+). A computational study shows that hydrogen transfer from the dihydrogen to the NBD ligand of [Ru(H-2)(NBD)(PCP)](+) proceeds through a stepwise mechanism.

  DOI：

  10.1021/om020521q