[(η(6)-trindane)Fe(η(5)-C5H5)]PF6 | 193746-52-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [(η(6)-trindane)Fe(η(5)-C5H5)]PF6
• 英文别名: cyclopenta-1,3-diene;iron(2+);2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacene;hexafluorophosphate
• CAS: 193746-52-0
• 化学式: C₂₀H₂₃Fe*F₆P
• 分子量: 464.214
• InChiKey: XWTGVVUBLOXANS-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

• 作为反应物：
  描述：

  氘代二甲亚砜 、 [(η(6)-trindane)Fe(η(5)-C5H5)]PF6 在 KOtBu 、 H₂O 作用下， 以 氘代二甲亚砜 为溶剂， 生成 [(η(6)-trindane)Fe(η(5)-C5H5)]PF6
  参考文献：
  名称：

  Metal Complexes of Trindane:  Possible Precursors of Sumanene

  摘要：

  Trindane (the condensation trimer of cyclopentanone) yields complexes of the type (eta(6)-trindane)MLn, where MLn = Cr(CO)(3) (6), Mo(CO)(3) (8), Mn(CO)(3)(+) (9), or (C5H5)Fe+ (10a,10b). X-ray crystallographic data are reported for (eta(6)-trindane)Cr(CO)3 (6) and show that the three five-membered rings adopt envelope conformations in which the central methylene groups are bent toward the metal. When the chromium complex 6 is stirred with DMSO-d(6) in the presence of t-BuOK, up to 12 benzyl protons can be exchanged for deuterons, giving a mixture of partially deuterated products. In contrast, the iron complex 10b undergoes complete H/D exchange at all 12 benzylic sites. The possibility of preparing all-cis hexamethyltrindane as a precursor to sumanene is discussed.

  DOI：

  10.1021/om961077s
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 二茂铁 、 2,3,4,5,6,7,8,9-八氢-1H-三茚 在 AlCl₃ 、 Al 作用下， 以 水 为溶剂， 以86%的产率得到[(η(6)-trindane)Fe(η(5)-C5H5)]PF6
  参考文献：
  名称：

  Metal Complexes of Trindane:  Possible Precursors of Sumanene

  摘要：

  Trindane (the condensation trimer of cyclopentanone) yields complexes of the type (eta(6)-trindane)MLn, where MLn = Cr(CO)(3) (6), Mo(CO)(3) (8), Mn(CO)(3)(+) (9), or (C5H5)Fe+ (10a,10b). X-ray crystallographic data are reported for (eta(6)-trindane)Cr(CO)3 (6) and show that the three five-membered rings adopt envelope conformations in which the central methylene groups are bent toward the metal. When the chromium complex 6 is stirred with DMSO-d(6) in the presence of t-BuOK, up to 12 benzyl protons can be exchanged for deuterons, giving a mixture of partially deuterated products. In contrast, the iron complex 10b undergoes complete H/D exchange at all 12 benzylic sites. The possibility of preparing all-cis hexamethyltrindane as a precursor to sumanene is discussed.

  DOI：

  10.1021/om961077s