2,5,-bis(trimethylsilyl)-3,4-dimethyl-1-stilbaferrocene | 139426-52-1

• 英文名称: 2,5,-bis(trimethylsilyl)-3,4-dimethyl-1-stilbaferrocene
• CAS: 139426-52-1
• 化学式: C₁₇H₂₉FeSbSi₂
• 分子量: 467.185
• InChiKey: DQGKMUWLJBHWLZ-XSMOKHOMSA-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：

  1-phenyl-2,5-bis(trimethylsilyl)-3,4-dimethylstibole 、 环戊二烯锂 、 iron(II) chloride 在 AlCl₃ 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到2,5,-bis(trimethylsilyl)-3,4-dimethyl-1-stilbaferrocene
  参考文献：
  名称：

  异二茂铁的构象。2,2'，5,5'-四（三甲基甲硅烷基）-3,3'，4,4'-四甲基-1,1'-二茂铁茂铁的合成，晶体及动态溶液行为

  摘要：

  2,2',5,5'-Tetrakis(trimethylsilyl)-3,3',4,4'-tetramethyl-1,1'-distibaferrocene (2) as been obtained from the reaction of 1-phenyl-2,5-bis(trimethylsilyl)-3,4-dimethylstibole with lithium followed by FeCl2. In a similar manner 2,2',5,5'-tetrakis(trimethylsilyl)-3,3',4,4'-tetramethyl-1,1'-dibismaferrocene (3) was obtained from 1-phenyl-2,5-bis(trimethylsilyl)-3,4-dimethylbismole. Dark red crystals of 2 form in the P1BAR (No. 2) space group with Z = 2, a = 9.243 (2) angstrom, b = 11.310 (2) angstrom, c = 17.345 (3) angstrom, alpha = 76.51 (1)-degrees, beta = 79.23 (2)-degrees, and gamma = 73.18 (1)-degrees. A full structure has been determined and shows a ferrocene-like arrangement in which the trimethylsilyl groups are arranged in a staggered fashion. In solution a barrier to ring rotation for both 2 and 3 of DELTA-G double-ended dagger = 13 kcal/mol can be estimated from variable-temperature H-1-NMR spectroscopy.

  DOI：

  10.1021/om00040a019