pentamethylcyclopentadienylcobalt[2-5-η-(N-methyl)azepine] | 173467-44-2

• 英文名称: pentamethylcyclopentadienylcobalt[2-5-η-(N-methyl)azepine]
• CAS: 173467-44-2
• 化学式: C₁₇H₂₄CoN
• 分子量: 301.377
• InChiKey: JEQLUIDUOCZPMF-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：

  pentamethylcyclopentadienylcobalt(2-5-η-N-ethoxycarbonylazepine) 、 lithium aluminium tetrahydride 以 乙醚 为溶剂， 以82%的产率得到pentamethylcyclopentadienylcobalt[2-5-η-(N-methyl)azepine]
  参考文献：
  名称：

  Cyclopentadienylcobalt complexes of some azepines

  摘要：

  The complexes [(C(5)R(5))Co(2-5-eta-C(6)H(6)NR')] (R' = C(O)OEt; R = H (6a) or Me (9a)) are prepared from N-ethoxycarbonyl azepine and [(C(5)R(5))Co(C2H4)(2)] (R = H (5) or Me (8)). On treatment with methoxide ion, 6a is partially converted into the N-methoxycarbonyl derivative 6b. Complex 9a can be reduced with LiAlH4 to give the N-methyl derivative 9b. Complexes 6a, 9a and 9b were shown to be fluxional in solution. The complexes undergo a degenerate valence tautomerization, which is much more facile in 9b than in 6a and 9a. Restricted rotation around the N-C(O) bond was found in 6a, leading to the presence of two diastereomers at low temperatures. No dinuclear azepine-bridged complexes were obtained from 6a, 9a and 9b after treatment with 5 or 8.

  DOI：

  10.1016/0022-328x(95)05546-2