1-ferrocenyl-6-(4-formylphenyl)dodecamethylhexasilane | 352462-72-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-ferrocenyl-6-(4-formylphenyl)dodecamethylhexasilane
• 英文别名: cyclopenta-1,3-diene;4-[[[[[[cyclopenta-2,4-dien-1-yl(dimethyl)silyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]benzaldehyde;iron(2+)
• CAS: 352462-72-7
• 化学式: C₂₉H₅₀FeOSi₆
• 分子量: 639.075
• InChiKey: BBTSORHQMROUSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.38
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-ferrocenyl-6-(4-formylphenyl)dodecamethylhexasilane 、 丙二腈 在 piperidine 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以62%的产率得到1-ferrocenyl-6-[(2,2-dicyanoethenyl)phenyl]dodecamethylhexasilane
  参考文献：
  名称：

  Synthesis, structural characterization and 57Fe-Mössbauer spectra of ferrocenylhexasilanes

  摘要：

  Linear and cyclic ferrocenylhexasilanes 1,6-Fc-Si6Me12-X [X = Me, -C6H4CH double bondC(CN)(2)], 1,3- and 1,4-Fc-Si6Me10-X [X = Me, -C6H4CH double bondC(CN)(2)], have been synthesized and their Mossbauer spectra have been measured. All compounds possess localized electronic structures on the Mossbauer timescale and partial Fe(III) character of the iron atom due to Cp --> (Si-n) electron transfer. The Mossbauer data obtained, furthermore, indicate considerable aryl-ferrocenyl interaction via the hexasilane moiety. The single crystal X-ray structures of 1,3- and 1,4-Fc-Si6Me10-C6H4CH double bondC(CN)(2) exhibit the cyclohexasilane ring in chair conformation with the bulky Fc- and aryl substituents in equatorial positions. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00743-4
• 作为产物：
  描述：

  1-ferrocenyl-6-(4-bromophenyl)dodecamethylhexasilane 、 N,N-二甲基甲酰胺 在 n-butyllithium 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 正戊烷 为溶剂， 以67%的产率得到1-ferrocenyl-6-(4-formylphenyl)dodecamethylhexasilane
  参考文献：
  名称：

  Synthesis, structural characterization and 57Fe-Mössbauer spectra of ferrocenylhexasilanes

  摘要：

  Linear and cyclic ferrocenylhexasilanes 1,6-Fc-Si6Me12-X [X = Me, -C6H4CH double bondC(CN)(2)], 1,3- and 1,4-Fc-Si6Me10-X [X = Me, -C6H4CH double bondC(CN)(2)], have been synthesized and their Mossbauer spectra have been measured. All compounds possess localized electronic structures on the Mossbauer timescale and partial Fe(III) character of the iron atom due to Cp --> (Si-n) electron transfer. The Mossbauer data obtained, furthermore, indicate considerable aryl-ferrocenyl interaction via the hexasilane moiety. The single crystal X-ray structures of 1,3- and 1,4-Fc-Si6Me10-C6H4CH double bondC(CN)(2) exhibit the cyclohexasilane ring in chair conformation with the bulky Fc- and aryl substituents in equatorial positions. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00743-4