(p-CHOC6H4SiMe2-C5H4)2Fe | 639464-54-3

• 英文名称: (p-CHOC6H4SiMe2-C5H4)2Fe
• CAS: 639464-54-3
• 化学式: C₂₈H₃₀FeO₂Si₂
• 分子量: 510.563
• InChiKey: HKVSETLROJNRQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：

  (p-CHOC6H4SiMe2-C5H4)2Fe 、 丙二腈 在 piperidine 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以60%的产率得到(p-(NC)2C=CHC6H4SiMe2-C5H4)2Fe
  参考文献：
  名称：

  Bis-silyl substituted ferrocenylenes, including dicyanovinyl electron-withdrawing groups, as potential non-linear optical materials

  摘要：

  1,1'-Bis-silylferrocenylenes (p-XC6H4SiMe2-C5H4)(2)Fe, X=Br (1), CHO (2), CH=C(CN)2 (3) have been synthesized and characterized by NMR and Mossbauer spectroscopy, single crystal X-ray diffraction and electrochemistry. Complex 1 crystallizes in the centrosymmetric space group P2(1)/n whereas 3 forms in the non-centrosymmetric group Cc. The latter complex exhibits a chain-like structure in the solid state via C-H... N intermolecular hydrogen bonding. The hyperpolarizability of 3 is significantly greater than the related mono-silylferrocene complex (C5H5)Fe(C5H4SiMe2C6H4CH-C(CN)(2)) while Mossbauer spectroscopy exhibits negligible charge transfer between the cyano groups and the ferrocenylene iron center. (C) 2003 Published by Elsevier B.V.

  DOI：

  10.1016/j.jorganchem.2003.07.006
• 作为产物：
  描述：

  (p-BrC6H4SiMe2-C5H4)2Fe 、 N,N-二甲基甲酰胺 在 t-butyl lithium 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 以45%的产率得到(p-CHOC6H4SiMe2-C5H4)2Fe
  参考文献：
  名称：

  Bis-silyl substituted ferrocenylenes, including dicyanovinyl electron-withdrawing groups, as potential non-linear optical materials

  摘要：

  1,1'-Bis-silylferrocenylenes (p-XC6H4SiMe2-C5H4)(2)Fe, X=Br (1), CHO (2), CH=C(CN)2 (3) have been synthesized and characterized by NMR and Mossbauer spectroscopy, single crystal X-ray diffraction and electrochemistry. Complex 1 crystallizes in the centrosymmetric space group P2(1)/n whereas 3 forms in the non-centrosymmetric group Cc. The latter complex exhibits a chain-like structure in the solid state via C-H... N intermolecular hydrogen bonding. The hyperpolarizability of 3 is significantly greater than the related mono-silylferrocene complex (C5H5)Fe(C5H4SiMe2C6H4CH-C(CN)(2)) while Mossbauer spectroscopy exhibits negligible charge transfer between the cyano groups and the ferrocenylene iron center. (C) 2003 Published by Elsevier B.V.

  DOI：

  10.1016/j.jorganchem.2003.07.006