(η(5)-C5H5)Fe(η(5)-C5H4C7Ph6H) | 220578-48-3

• 英文名称: (η(5)-C5H5)Fe(η(5)-C5H4C7Ph6H)
• CAS: 220578-48-3
• 化学式: C₅₃H₄₀Fe
• 分子量: 732.748
• InChiKey: WTJUUOMAGUSXSA-RIFBMQLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (η(5)-C5H5)Fe(η(5)-C5H4C7Ph6H) 、 triethyloxonium hexachloroantimonate 以 二氯甲烷 为溶剂， 以24%的产率得到[(η(5)-C5H5)Fe(η(5)-C5H4C7Ph6H)]SbF6
  参考文献：
  名称：

  Diels−Alder Reactions of 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone:  Syntheses and Structures of the Sterically Crowded Systems C₆Ph₅Fc, C₇Ph₆FcH, and [C₇Ph₆FcH][SbCl₆]

  摘要：

  Diels-Alder addition of diphenylacetylene or of 1,2,3-triphenylcyclopropene to 3-ferrocenyl-2,4,5-triphenylcyclopentadienone yields, upon thermolysis, C(6)Ph(5)Fc (5) or C(7)Ph(6)FcH (8), respectively. Subsequent treatment of 8 with triethyloxonium hexachloroantimonate results in the formation of the ferricinium complex [C(7)Ph(6)FcH](+)[SbCl6](-) (13), rather than the anticipated tropylium cation [C(7)Ph(6)Fc](+). The substituted ferrocene derivatives 5, 8, and 13 have been characterized by X-ray crystallography. From the solid-state structure of 5 it is evident that the peripheral aryl substituents do not adopt a regular propeller type conformation, but instead exhibit an incremental progression of twist angles relative to the central ring. The dynamics of peripheral ring rotations in 5 and 8 have been studied by variable-temperature NMR.

  DOI：

  10.1021/om980645w
• 作为产物：
  描述：

  3-ferrocenyl-2,4,5-triphenylcyclopentadienone 、 1,2,3-三苯基环丙烯 以 xylene 为溶剂， 以62%的产率得到(η(5)-C5H5)Fe(η(5)-C5H4C7Ph6H)
  参考文献：
  名称：

  Diels−Alder Reactions of 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone:  Syntheses and Structures of the Sterically Crowded Systems C₆Ph₅Fc, C₇Ph₆FcH, and [C₇Ph₆FcH][SbCl₆]

  摘要：

  Diels-Alder addition of diphenylacetylene or of 1,2,3-triphenylcyclopropene to 3-ferrocenyl-2,4,5-triphenylcyclopentadienone yields, upon thermolysis, C(6)Ph(5)Fc (5) or C(7)Ph(6)FcH (8), respectively. Subsequent treatment of 8 with triethyloxonium hexachloroantimonate results in the formation of the ferricinium complex [C(7)Ph(6)FcH](+)[SbCl6](-) (13), rather than the anticipated tropylium cation [C(7)Ph(6)Fc](+). The substituted ferrocene derivatives 5, 8, and 13 have been characterized by X-ray crystallography. From the solid-state structure of 5 it is evident that the peripheral aryl substituents do not adopt a regular propeller type conformation, but instead exhibit an incremental progression of twist angles relative to the central ring. The dynamics of peripheral ring rotations in 5 and 8 have been studied by variable-temperature NMR.

  DOI：

  10.1021/om980645w