2-ferocenylcyclopentenone | 12260-66-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2-ferocenylcyclopentenone
• 英文别名: cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-one;iron(2+)
• CAS: 12260-66-1
• 化学式: C₁₅H₁₄FeO
• 分子量: 266.123
• InChiKey: RGBCSFPNUPXPSD-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：

  2-ferocenylcyclopentenone 、 sodium tetrahydroborate 在 CeCl₃ * 7 H₂O 、 NH₄Cl 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 以99%的产率得到cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-ol;iron(2+)
  参考文献：
  名称：

  Synthesis of Fulvalene-Bridged Bimetallic Compounds Containing a Substituted Cyclopentadienyl Group Based on Pauson−Khand Chemistry

  摘要：

  From the Pauson-Khand products 2-ferrocenylcyclopentenone (2) and 2-ferrocenyl-3-methylcyclopentenone (10) as starting materials, substituted ferrocene complexes (C5H5-eta(5)-C5H4)Fe(C5H5) (4), (CH3C5H4-eta(5)-C5H4)Fe(C5H5) (12), and (Me2C5H3-eta(5)-C5H4)Fe(C5H5) (16) were prepared. Metalation of 4, 12, and 16 with Mn(CO)(5)Br, Cr(CO)(3)(CH3CN)(3), FeCl2(THF)(n), and the deprotonated form of [CpFe(fluorene)](+) resulted in good yields of fulvalenyl-bridged heterobi- and polymetallic compounds. The molecular structures of [1-{(C5H4)Fe(C5H5)}-2-CH3C5H4]Mn(CO)(3) (13), [2-{(C5H4)Fe(C5H5)}-1,3-Me2C5H2] Mn(CO)(3) (17), [2-{(C5H4)Fe(C5H5)}-1,3-Me2C5H2]Fe(C5H5) (18), and [1-{(C5H4)Fe(C5H5)}-2,3,4,5-Me4C5]Fe(C5H5) (23) are reported.

  DOI：

  10.1021/om980693g
• 作为产物：
  描述：

  乙烯 、 dicobalt octacarbonyl 、 二茂铁乙炔 以 二甲基亚砜 、 苯 为溶剂， 以93%的产率得到2-ferocenylcyclopentenone
  参考文献：
  名称：

  Synthesis of Fulvalene-Bridged Bimetallic Compounds Containing a Substituted Cyclopentadienyl Group Based on Pauson−Khand Chemistry

  摘要：

  From the Pauson-Khand products 2-ferrocenylcyclopentenone (2) and 2-ferrocenyl-3-methylcyclopentenone (10) as starting materials, substituted ferrocene complexes (C5H5-eta(5)-C5H4)Fe(C5H5) (4), (CH3C5H4-eta(5)-C5H4)Fe(C5H5) (12), and (Me2C5H3-eta(5)-C5H4)Fe(C5H5) (16) were prepared. Metalation of 4, 12, and 16 with Mn(CO)(5)Br, Cr(CO)(3)(CH3CN)(3), FeCl2(THF)(n), and the deprotonated form of [CpFe(fluorene)](+) resulted in good yields of fulvalenyl-bridged heterobi- and polymetallic compounds. The molecular structures of [1-{(C5H4)Fe(C5H5)}-2-CH3C5H4]Mn(CO)(3) (13), [2-{(C5H4)Fe(C5H5)}-1,3-Me2C5H2] Mn(CO)(3) (17), [2-{(C5H4)Fe(C5H5)}-1,3-Me2C5H2]Fe(C5H5) (18), and [1-{(C5H4)Fe(C5H5)}-2,3,4,5-Me4C5]Fe(C5H5) (23) are reported.

  DOI：

  10.1021/om980693g