syn-bis[(cyclopentadienyl)iron]-μ-(1,2,3,3a,8a-η(5):4a,5,6,7,7a-η(5)-3a,4,7a,8-tetrahydro-4,4,8,8-tetrabutyl-4,8-disila-s-indacene-3a,7a-diyl) | 223401-12-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: syn-bis[(cyclopentadienyl)iron]-μ-(1,2,3,3a,8a-η(5):4a,5,6,7,7a-η(5)-3a,4,7a,8-tetrahydro-4,4,8,8-tetrabutyl-4,8-disila-s-indacene-3a,7a-diyl)
• CAS: 223401-12-5
• 化学式: C₃₆H₅₂Fe₂Si₂
• 分子量: 652.674
• InChiKey: LRISPPQJIDJJQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.57
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  iron(dichloride)*1.5(tetrahydrofuran) 、 cyclopentadienyl(tetrahydrofuran)sodium 、 tetrahydro-4,4,8,8-tetra-n-butyl-4,8-disila-s-indacene-3a,7a-diyldilithium 以 四氢呋喃 为溶剂， 以35%的产率得到syn-bis[(cyclopentadienyl)iron]-μ-(1,2,3,3a,8a-η(5):4a,5,6,7,7a-η(5)-3a,4,7a,8-tetrahydro-4,4,8,8-tetrabutyl-4,8-disila-s-indacene-3a,7a-diyl)
  参考文献：
  名称：

  Tuning the link of doubly silyl-bridged ferrocenes

  摘要：

  New 4,4,8,8-tetraalkyltetrahydro-4,8-disila-s-indacene ligands were synthesized in order to increase the solubility of higher-nuclear bridged metallocenes. CpNa and R2SiCl2 (R = Et, n-Bu) gave the silylated cyclopentadienes (C5H5)SiR2Cl that were converted to disila-s-indacenes carrying R at the silyl bridges. Deprotonation led to the corresponding dianions, which after addition of CpNa, reacted with solvated iron dichloride to yield dinuclear ferrocenes that were bridged by R2Si groups. In any case, mixtures of syn- and anti-isomers were obtained from which the pure anti-isomers could be separated by crystallization. All compounds were characterized by H-1- and C-13-NMR spectroscopies and partly by mass spectroscopy. In cyclic voltammetry, the anti-isomers of the dinuclear ferrocenes underwent successive electron transfers with separations that were determined by solvation effects. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00945-0