[η5-(C5H4CMe2CH2CN)Co(1,5-cyclooctadiene)] | 1438392-38-1

• 英文名称: [η5-(C5H4CMe2CH2CN)Co(1,5-cyclooctadiene)]
• 英文别名: [η⁵-(C₅H₄CMe₂CH₂CN)Co(1,5-cyclooctadiene)]；[η⁵-(C₅H₄CMe₂CH₂CN)Co(COD)]
• CAS: 1438392-38-1；1438392-42-7
• 化学式: C₁₈H₂₄CoN
• 分子量: 313.388
• InChiKey: ZKVLVMJUMZXTPZ-GHDUESPLSA-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：

  2-丁炔 、 [η5-(C5H4CMe2CH2CN)Co(1,5-cyclooctadiene)] 以 四氢呋喃 为溶剂， 反应 22.0h， 以63%的产率得到
  参考文献：
  名称：

  Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups

  摘要：

  The novel Co(I)-complex [(CpCo)-Co-CN(COD)] (Cp-CN = eta(5)-(C5H4CMe2CH2CN), COD = 1,5-cyclooctadiene; 3) with a substituted cyclopentadienyl ligand containing a pendant nitrile moiety has been synthesized and characterized by X-ray diffraction. The reactivity of the nitrile group in 3 has been investigated regarding its behavior in cyclization reactions with alkynes, leading to three new complexes containing pendant 2-pyridyl groups. All synthesized complexes have been evaluated as catalysts in the [2 + 2 + 2] cycloaddition reaction of 1,6-heptadiyne and benzonitrile.

  DOI：

  10.1021/om400330x
• 作为产物：
  描述：

  cobalt,triphenylphosphane,chloride 、 3-cyclopentadienyl-3-methylbutanenitrile lithium salt 、 1,5-环辛二烯 以 四氢呋喃 为溶剂， 反应 24.0h， 以60%的产率得到[η5-(C5H4CMe2CH2CN)Co(1,5-cyclooctadiene)]
  参考文献：
  名称：

  Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups

  摘要：

  The novel Co(I)-complex [(CpCo)-Co-CN(COD)] (Cp-CN = eta(5)-(C5H4CMe2CH2CN), COD = 1,5-cyclooctadiene; 3) with a substituted cyclopentadienyl ligand containing a pendant nitrile moiety has been synthesized and characterized by X-ray diffraction. The reactivity of the nitrile group in 3 has been investigated regarding its behavior in cyclization reactions with alkynes, leading to three new complexes containing pendant 2-pyridyl groups. All synthesized complexes have been evaluated as catalysts in the [2 + 2 + 2] cycloaddition reaction of 1,6-heptadiyne and benzonitrile.

  DOI：

  10.1021/om400330x
• 作为试剂：
  描述：

  1,6-庚二炔 、 苯甲腈 在 [η5-(C5H4CMe2CH2CN)Co(1,5-cyclooctadiene)] 作用下， 以 四氢呋喃 为溶剂， 生成 3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine
  参考文献：
  名称：

  Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups

  摘要：

  The novel Co(I)-complex [(CpCo)-Co-CN(COD)] (Cp-CN = eta(5)-(C5H4CMe2CH2CN), COD = 1,5-cyclooctadiene; 3) with a substituted cyclopentadienyl ligand containing a pendant nitrile moiety has been synthesized and characterized by X-ray diffraction. The reactivity of the nitrile group in 3 has been investigated regarding its behavior in cyclization reactions with alkynes, leading to three new complexes containing pendant 2-pyridyl groups. All synthesized complexes have been evaluated as catalysts in the [2 + 2 + 2] cycloaddition reaction of 1,6-heptadiyne and benzonitrile.

  DOI：

  10.1021/om400330x