Cyclopenta-1,3-diene;1-ethyl-5-methylcyclopenta-1,3-diene;iron(2+) | 1287-15-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: Cyclopenta-1,3-diene;1-ethyl-5-methylcyclopenta-1,3-diene;iron(2+)
• CAS: 1287-15-6
• 化学式: C₁₃H₁₆Fe
• 分子量: 228.117
• InChiKey: GWAWADAXOKGYQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 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：

  cyclopenta-1,3-diene;iron(2+);1-(2-methylcyclopenta-1,4-dien-1-yl)ethanol 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到Cyclopenta-1,3-diene;1-ethyl-5-methylcyclopenta-1,3-diene;iron(2+)
  参考文献：
  名称：

  Synthesis and electrochemical properties of mono- and (�)-1,2-dialkylferrocenes and alkylferrocenium hexafluorophosphates in aqueous and micellar media

  摘要：

  Simple methods have been developed for the preparation of a series of n-alkylferrocenes H(CH2)(n)Fc (n = 3, 5-8, or 12) based on Friedel-Crafts acylation of ferrocenes followed by reduction of the corresponding ketones with Zn amalgam. The properties of H(CH2)(n)Fc and the corresponding ferrocenium ions in micellar aqueous solutions and the behavior of water-soluble cations H(CH2)(n)Fc(+) in the absence of micelles were studied by cyclic voltammetry. In all cases, the formal redox potentials of ferrocenes (E(o)') increase linearly as n increases up to 8. Whether micelles are present or not, the corresponding correlation equation has the following form: E(o)' = alpha + beta n, where beta approximate to 29 mV in all cases. The synthesis of (+/-)-1-ethyl-2-methylferrocene from racemic alpha-dimethylaminoethylferrocene is reported.

  DOI：

  10.1007/bf01435401