cyclooctylferrocene | 249935-38-4

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: cyclooctylferrocene
• 英文别名: cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylcyclooctane;iron(2+)
• CAS: 249935-38-4
• 化学式: C₁₈H₂₄Fe
• 分子量: 296.236
• InChiKey: GVGUVFVVWJKELM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• 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：
  2

反应信息

• 作为产物：
  描述：

  二茂铁 、 顺-环辛烯 在 三氯化铝 作用下， 以 正辛烷 为溶剂， 生成 (1-methylcycloheptyl)ferrocene 、 cyclooctylferrocene
  参考文献：
  名称：

  Friedel–Crafts alkylation of ferrocene with Z-cyclooctene and cyclohexene

  摘要：

  Cycloalkylated ferrocene derivatives, potentially useful as liquid burning rate modifiers for the HTPB/AP-based composite rocket propellants, were synthesized by the Friedel-Crafts alkylation of ferrocene with Z-cyclooctene or cyclohexene in the presence of AlCl3 as a Lewis acid catalyst. The reaction with Z-cyclooctene yields a mixture of main products containing up to four C8H15 substituents, each of which exists in several isomeric forms, as recognized by MS and GC-MS techniques. Two isomeric monosubstituted products, cyclooctylferrocene and (1-methylcycloheptyl)ferrocene, isolated by means of preparative GC, were identified by C-13-NMR spectroscopy. In the case of cyclohexene, cyclohexylferrocene and a 2:1 mixture of 1,1'-dicyclohexylferrocene and 1,3-dicyclohexylferrocene were isolated and identified by MS and C-13-NMR spectroscopy. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00313-7