| 134714-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 134714-57-1
• 化学式: C₃₄H₃₈P₃Re
• 分子量: 725.804
• InChiKey: KIVMLHXJTIRQER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.72
• 重原子数：
  38.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  四氟硼酸-二乙醚络合物 、 以 乙醚 、 二氯甲烷 为溶剂， 以65%的产率得到{ReH6(bis(2-(diphenylphosphino)ethyl)phenylphosphine)}BF4
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of [ReH5(triphos)] and [ReH6(triphos)]+[triphos = PPh(CH2CH2PPh2)2]

  摘要：

  Reaction of mer-[ReCl3(PMePh2)3] with PPh(CH2CH2PPh2)2 (triphos) in refluxing toluene leads to the formation of [ReCl3(triphos)] 1. Treatment of 1 with LiAIH4 in refluxing Et2O gives [ReH5(triphos)] 2. Protonation of 2 with HBF4.OEt2 gives [ReH6(triphos)]+ 3. Deprotonation of 3 with NEt3 regenerates 2 quantitatively. The spectroscopic data for compound 3 suggest that it is near the classical/non-classical borderline but exists in solution as a single tautomer only. An estimate of 1.17 angstrom for the H-H distance of the eta-2-H2 ligand in 3 was obtained from the T1 data and previous structural work.

  DOI：

  10.1039/dt9910000587
• 作为产物：
  描述：

  {ReH6(bis(2-(diphenylphosphino)ethyl)phenylphosphine)}BF4 在 三乙胺 作用下， 以 not given 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of [ReH5(triphos)] and [ReH6(triphos)]+[triphos = PPh(CH2CH2PPh2)2]

  摘要：

  Reaction of mer-[ReCl3(PMePh2)3] with PPh(CH2CH2PPh2)2 (triphos) in refluxing toluene leads to the formation of [ReCl3(triphos)] 1. Treatment of 1 with LiAIH4 in refluxing Et2O gives [ReH5(triphos)] 2. Protonation of 2 with HBF4.OEt2 gives [ReH6(triphos)]+ 3. Deprotonation of 3 with NEt3 regenerates 2 quantitatively. The spectroscopic data for compound 3 suggest that it is near the classical/non-classical borderline but exists in solution as a single tautomer only. An estimate of 1.17 angstrom for the H-H distance of the eta-2-H2 ligand in 3 was obtained from the T1 data and previous structural work.

  DOI：

  10.1039/dt9910000587

文献信息

• Costello, Michael T.; Fanwick, Phillip E.; Green, Mark A., Inorganic Chemistry, 1992, vol. 31, # 12, p. 2359 - 2365
  作者：Costello, Michael T.、Fanwick, Phillip E.、Green, Mark A.、Walton, Richard A.

  DOI：——

  日期：——