1,2-dimethylcyclopentadienyl(pentamethylcyclopentadienyl)iron | 352356-92-4

• 分子结构分类: 有机化合物 - 碳氢化合物
• 英文名称: 1,2-dimethylcyclopentadienyl(pentamethylcyclopentadienyl)iron
• 英文别名: 1,2-dimethylcyclopenta-1,3-diene;iron(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 352356-92-4
• 化学式: C₁₇H₂₄Fe
• 分子量: 284.225
• InChiKey: OXFXCTLVXWRSTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.97
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)iron(II) 、 2.3-(CH3)2C5H3K 、 lithiumpentamethylcyclopentadiene 以 四氢呋喃 、 乙腈 为溶剂， 以76%的产率得到1,2-dimethylcyclopentadienyl(pentamethylcyclopentadienyl)iron
  参考文献：
  名称：

  From dihydropentafulvalenes to asymmetric biferrocene and terferrocene

  摘要：

  In order to realize a step-by-step synthesis of terferrocenes tetramethyldihydropentafulvalene has been mono-deprotonated and further converted to ferrocene and pentamethylferrocene which are both substituted by tetramethylcyclopentadiene (4 and 9, respectively). In these syntheses the intermediate half-sandwich (C5Me5)Fe(hfa)(MeCN) (hfa = hexafluoroacetylacetonate) proved to be a useful reagent. Compounds 4 and 9 could be deprotonated to corresponding ferrocenes which are substituted by tetramethylcyclopentadienyl anions (5 and 10, respectively). Anions 5 and 10 are building blocks for termetallocenes which has been demonstrated by the synthesis of octamethylated terferrocene from 5 and FeCl2. Tetradecamethylbiferrocene has been obtained by reaction of tetramethylpentafulvalene dianion with FeCl2. NMR features and redox properties of the new compounds have been analyzed. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00706-9