1-(ferrocenyldimethylsilyl)-4-(trimethylacetyl)-dodecamethylbicyclo[2.2.2]octasilane | 1449077-29-5

• 英文名称: 1-(ferrocenyldimethylsilyl)-4-(trimethylacetyl)-dodecamethylbicyclo[2.2.2]octasilane
• CAS: 1449077-29-5
• 化学式: C₂₉H₆₀FeOSi₉
• 分子量: 733.411
• InChiKey: GCPXGVQXPIZVKL-IEJFLBLCSA-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

• 作为产物：
  描述：

  、 三甲基乙酰氯 以 乙二醇二甲醚 、 乙醚 为溶剂， 反应 0.5h， 以78%的产率得到1-(ferrocenyldimethylsilyl)-4-(trimethylacetyl)-dodecamethylbicyclo[2.2.2]octasilane
  参考文献：
  名称：

  Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes

  摘要：

  A series of previously unknown bridgehead-functionalized bicyclo[2.2.2]octasilanes, Me3Si-Si8Me12-X, X-Si8Me12-X, and X-Si8Me12-Y [X, Y = -SiMenPh3-n (n = 1, 2) (2, 3, 10), -SiMe(2)Fc (Fc = ferrocenyl) (4, 11, 13, 14), -COR (R = Me, tBu) (6, 7, 12), COOMe (8), COOH (9)], have been prepared by the reaction of the silanides Me3Si-Si8Me12-K+ or K+-Si8Me12-K+ with proper electrophiles and fully characterized. The molecular structures of 2, 3, 4, 6, 8, 9, 10, and 13 as determined by single-crystal X-ray diffraction analysis exhibit a slightly twisted structure of the bicyclooctasilane cage. Endocyclic bond lengths, bond angles, and dihedral angles are not influenced considerably by the substituents attached to the bridgehead silicon atoms. Due to sigma(SiSi)/pi(aryl) conjugation, a 20-30 nm bathochromic shift of the longest wavelength UV absorption band relative to Me3Si-Si8Me12-SiMe3 (1) is evident in the UV absorption spectra of the phenyl and ferrocenyl derivatives. Otherwise, UV absorption data do not support the assumption of aryl/aryl or aryl/C=O interaction via the sigma(SiSi) bicyclooctasilane framework.

  DOI：

  10.1021/om400184y