| 1242617-89-5

• CAS: 1242617-89-5；1242617-77-1
• 化学式: C₁₆H₁₈FeO₂
• 分子量: 298.165
• InChiKey: PZBPLINFPPWVNK-XRZFDKQNSA-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：

  甲醇 、 在 N,N-dimethylformamide 、 oxalyl chloride 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Developing a Reliable Synthetic Route to cis-1,3-Bridge-Disubstituted [3]Ferrocenophane Systems

  摘要：

  Treatment of the [3]ferrocenophane cyanide trans-7 with strong aqueous base led to a diasteromeric mixture of carboxylic acids trans-8/cis-8 in a 1:2.8 ratio. Analogous base-induced hydrolysis of the related ortho-bromine-substituted [3]ferrocenophane nitrite trans-12 selectively yielded the cis-carboxylic acid cis-13. DFT calculations showed that in this series the cis-carboxylic acids are thermodynamically more stable than the respective trans-isomers. The dicarboxylic acid cis-15 was prepared in a similar reaction sequence and used for further synthesis of a "TADDOL-analogous" [3]ferrocenophane (cis-20).

  DOI：

  10.1021/om100501q