2,6-diisopropyl-N-[(E)-1-(6-[[(1S)-1-(2-naphthyl)ethyl]ethanimidoyl]-2-pyridinyl)ethylidene]aniline | 577032-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,6-diisopropyl-N-[(E)-1-(6-[[(1S)-1-(2-naphthyl)ethyl]ethanimidoyl]-2-pyridinyl)ethylidene]aniline
• 英文别名: 2,6-diisopropyl-N-{(E)-1-[6-{[(1S)-1-(2-naphthyl)ethyl]ethanimidoyl}-2-pyridinyl]ethylidene}aniline
• CAS: 577032-28-1
• 化学式: C₃₃H₃₇N₃
• 分子量: 475.677
• InChiKey: GDXOXIBAAZDIPG-NCFJMJONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.19
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride 、 2,6-diisopropyl-N-[(E)-1-(6-[[(1S)-1-(2-naphthyl)ethyl]ethanimidoyl]-2-pyridinyl)ethylidene]aniline 以 正丁醇 为溶剂， 以88%的产率得到[2,6-diisopropyl-N-[(E)-1-(6-[[(1S)-1-(2-naphthyl)ethyl]ethanimidoyl]-2-pyridinyl)ethylidene]aniline]cobalt(II) dichloride
  参考文献：
  名称：

  Oligomerisation of Ethylene to Linear α‐Olefins by new C _s ‐ and C ₁ ‐Symmetric [2,6‐Bis(imino)pyridyl]iron and ‐cobalt Dichloride Complexes

  摘要：

  AbstractA new family of Cs‐ and C1‐symmetric 2,6‐bis(imino)pyridyl ligands has been synthesised. These ligands, which differ from their known counterparts in the contemporaneous presence of alkyl and aryl substituent at the ketimine nitrogen atoms, form stable, five‐coordinate complexes with FeCl2 and CoCl2. All ligands and catalysts have been fully characterised both in the solid state and in solution. A single‐crystal X‐ray analysis of [CoCl2{2‐[CMe=N−(2,6‐dimethylphenyl)]‐6‐(CMe=N−C6H11)C5H3N}]·H2O shows the metal centre to adopt a highly distorted square‐pyramidal geometry. In combination with methylaluminoxane (MAO), both iron and cobalt compounds act as effective and selective (> 99%) catalysts for the oligomerisation of ethylene to a Schulz−Flory distribution of α‐olefins, with the α factor ranging from 0.61 to 0.91. The iron catalysts exhibit TOFs as high as 7·105 mol C2H4 (mol of cat × h)−1 and are much more active than their cobalt analogues. Experiments at different ethylene pressures with the iron catalysts showed that both the propagation rate and the chain transfer rate are first order in ethylene pressure. (© Wiley‐VCH Verlag GmbH, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390213
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 在 甲酸 作用下， 以 甲醇 为溶剂， 反应 29.0h， 生成 2,6-diisopropyl-N-[(E)-1-(6-[[(1S)-1-(2-naphthyl)ethyl]ethanimidoyl]-2-pyridinyl)ethylidene]aniline
  参考文献：
  名称：

  Oligomerisation of Ethylene to Linear α‐Olefins by new C _s ‐ and C ₁ ‐Symmetric [2,6‐Bis(imino)pyridyl]iron and ‐cobalt Dichloride Complexes

  摘要：

  AbstractA new family of Cs‐ and C1‐symmetric 2,6‐bis(imino)pyridyl ligands has been synthesised. These ligands, which differ from their known counterparts in the contemporaneous presence of alkyl and aryl substituent at the ketimine nitrogen atoms, form stable, five‐coordinate complexes with FeCl2 and CoCl2. All ligands and catalysts have been fully characterised both in the solid state and in solution. A single‐crystal X‐ray analysis of [CoCl2{2‐[CMe=N−(2,6‐dimethylphenyl)]‐6‐(CMe=N−C6H11)C5H3N}]·H2O shows the metal centre to adopt a highly distorted square‐pyramidal geometry. In combination with methylaluminoxane (MAO), both iron and cobalt compounds act as effective and selective (> 99%) catalysts for the oligomerisation of ethylene to a Schulz−Flory distribution of α‐olefins, with the α factor ranging from 0.61 to 0.91. The iron catalysts exhibit TOFs as high as 7·105 mol C2H4 (mol of cat × h)−1 and are much more active than their cobalt analogues. Experiments at different ethylene pressures with the iron catalysts showed that both the propagation rate and the chain transfer rate are first order in ethylene pressure. (© Wiley‐VCH Verlag GmbH, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390213