[Fe(2,6-(2,6-Me2C6H3NC(Me))2C5H3N)(η4-CH2CHCH(CH2)3)] | 1309857-77-9

• 英文名称: [Fe(2,6-(2,6-Me2C6H3NC(Me))2C5H3N)(η4-CH2CHCH(CH2)3)]
• CAS: 1309857-77-9
• 化学式: C₃₁H₃₇FeN₃
• 分子量: 507.502
• InChiKey: SRJGVEUCAOGQBD-BXHRZPBZSA-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：

  [Fe(2,6-(2,6-Me2C6H3NC(Me))2C5H3N)(η4-CH2CHCH(CH2)3)] 以 氘代苯 为溶剂， 生成 [(1,1'-(pyridine-2,6-diyl)bis(N-(2,6-dimethylphenyl)ethan-1-imine))Fe(η⁴-butadiene)]
  参考文献：
  名称：

  Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition

  摘要：

  The bis(imino)pyridine iron dinitrogen compounds, ((PDI)-P-iPr)Fe(N-2)(2) and [((PDI)-P-Me)Fe(N-2)](2)(mu(2)-N-2) ((PDI)-P-R = 2,6-(2,6-R-2-C6H3N=CMe)(2)C6H3N; R = Pr-i, Me), promote the catalytic intermolecular [2 pi + 2 pi] cycloaddition of ethylene and butadiene to form vinylcyclobutane. Stoichiometric experiments resulted in isolation of a catalytically competent iron metallocycle intermediate, which was shown to undergo diene-induced C-C reductive elimination. Deuterium labeling experiments establish competitive cyclometalation of the bis(imino)pyridine aryl substituents during catalytic turnover.

  DOI：

  10.1021/ja202992p
• 作为产物：
  描述：

  乙烯 、 [(1,1'-(pyridine-2,6-diyl)bis(N-(2,6-dimethylphenyl)ethan-1-imine))Fe(η⁴-butadiene)] 以 乙醚 为溶剂， 生成 [Fe(2,6-(2,6-Me2C6H3NC(Me))2C5H3N)(η4-CH2CHCH(CH2)3)]
  参考文献：
  名称：

  Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition

  摘要：

  The bis(imino)pyridine iron dinitrogen compounds, ((PDI)-P-iPr)Fe(N-2)(2) and [((PDI)-P-Me)Fe(N-2)](2)(mu(2)-N-2) ((PDI)-P-R = 2,6-(2,6-R-2-C6H3N=CMe)(2)C6H3N; R = Pr-i, Me), promote the catalytic intermolecular [2 pi + 2 pi] cycloaddition of ethylene and butadiene to form vinylcyclobutane. Stoichiometric experiments resulted in isolation of a catalytically competent iron metallocycle intermediate, which was shown to undergo diene-induced C-C reductive elimination. Deuterium labeling experiments establish competitive cyclometalation of the bis(imino)pyridine aryl substituents during catalytic turnover.

  DOI：

  10.1021/ja202992p