4-(ferrocenyl)but-3-yn-1-yl acetate | 1172995-00-4

• 英文名称: 4-(ferrocenyl)but-3-yn-1-yl acetate
• CAS: 1172995-00-4
• 化学式: C₁₆H₁₆FeO₂
• 分子量: 296.149
• InChiKey: SDSGOZDZKNGCHX-UHFFFAOYSA-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：

  1-ethynylferrocene 、 penta-3-yn-1-yl acetate 在 Mo(CO)6 、 FC₆H₄OH 作用下， 以 甲苯 为溶剂， 以27%的产率得到4-(ferrocenyl)but-3-yn-1-yl acetate
  参考文献：
  名称：

  Mo‐Catalyzed Cross‐Metathesis Reaction of Propynylferrocene

  摘要：

  AbstractCatalysts formed in situ from [Mo(CO)6] and halophenols in dichloromethane efficiently promote cross metathesis reactions of (prop‐1‐yn‐1‐yl)ferrocene with various functionalized alkynes to give the corresponding alkynylferrocenes with good selectivity and yields. Optimization of the reaction conditions by changing the phenol component has been carried out, revealing a critical influence of the phenol structure on the reaction yield. The structures of selected compounds were determined by single‐crystal X‐ray diffraction, and the results (particularly the crystal packing) were correlated with DFT calculations. In addition, the series of alkynes 4‐XC6H4C≡CFc (Fc = ferrocenyl) differing by the substituent X was studied by electrochemical methods, manifesting a good correlation between the redox potential of the ferrocene/ferrocenium couple and the Hammett σp constants of the remote substituents X. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejic.200800128