1,1′-bis(cyclohexylmethylaminomethyl)ferrocene | 1459229-11-8

• 英文名称: 1,1′-bis(cyclohexylmethylaminomethyl)ferrocene
• CAS: 1459229-11-8
• 化学式: C₂₆H₄₀FeN₂
• 分子量: 436.464
• InChiKey: KXQMABMITYMEFG-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

• 作为反应物：
  描述：

  1,1′-bis(cyclohexylmethylaminomethyl)ferrocene 、 硫酸二甲酯 以 二氯甲烷 为溶剂， 反应 24.0h， 以43%的产率得到
  参考文献：
  名称：

  Binding Interactions between Cucurbit[n]uril Hosts and Tritopic, Dicationic Guests Containing a Central Ferrocenyl and Two Terminal Aminocyclohexyl Sites

  摘要：

  The binding interactions between two cucurbit[n]uril hosts (n = 7, 8, CB7 and CB8) and the three new guests 1,1'-bis(cyclohexylammoniomethyl)ferrocene (1H(2)(2+)), 1,1'-bis(cyclohexylmethylammoniomethyl)ferrocene (2H(2)(2+)), Fe and 1,1'-bis(cyclohexyldimethylammoniomethyl)ferrocene (3(2+)) were investigated in aqueous solution using H-1 NMR spectroscopy, voltammetry, and electrospray (ESI) mass spectrometry. The experimental data reveal that guests 1H(2)(2+) and 2H(2)(2+) behave similarly with both hosts, leading to the formation of pseudorotaxane complexes in which the host is located centrally around the ferrocenyl residue. A similar complex forms also between 3(2+) and CB7, but its formation is slower (k = 2.5 x 10(-4) s(-1)) and can be monitored by NMR spectroscopy. Finally, 3(2+) and CB8 give rise to a ternary 2:1 complex, in which CB8 receptors are bound to the terminal cyclohexyl groups, when the concentration. of the host exceeds that of the guest.

  DOI：

  10.1021/om400717z
• 作为产物：
  描述：

  在 sodium cyanoborohydride 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以107 mg的产率得到1,1′-bis(cyclohexylmethylaminomethyl)ferrocene
  参考文献：
  名称：

  Binding Interactions between Cucurbit[n]uril Hosts and Tritopic, Dicationic Guests Containing a Central Ferrocenyl and Two Terminal Aminocyclohexyl Sites

  摘要：

  The binding interactions between two cucurbit[n]uril hosts (n = 7, 8, CB7 and CB8) and the three new guests 1,1'-bis(cyclohexylammoniomethyl)ferrocene (1H(2)(2+)), 1,1'-bis(cyclohexylmethylammoniomethyl)ferrocene (2H(2)(2+)), Fe and 1,1'-bis(cyclohexyldimethylammoniomethyl)ferrocene (3(2+)) were investigated in aqueous solution using H-1 NMR spectroscopy, voltammetry, and electrospray (ESI) mass spectrometry. The experimental data reveal that guests 1H(2)(2+) and 2H(2)(2+) behave similarly with both hosts, leading to the formation of pseudorotaxane complexes in which the host is located centrally around the ferrocenyl residue. A similar complex forms also between 3(2+) and CB7, but its formation is slower (k = 2.5 x 10(-4) s(-1)) and can be monitored by NMR spectroscopy. Finally, 3(2+) and CB8 give rise to a ternary 2:1 complex, in which CB8 receptors are bound to the terminal cyclohexyl groups, when the concentration. of the host exceeds that of the guest.

  DOI：

  10.1021/om400717z