[(1-(6-bromopyridin-2-yl)ethylidene)(2,6-diisopropylphenyl)amine]cobalt(II) dichloride | 927418-28-8

• 英文名称: [(1-(6-bromopyridin-2-yl)ethylidene)(2,6-diisopropylphenyl)amine]cobalt(II) dichloride
• CAS: 927418-28-8
• 化学式: C₁₉H₂₃BrCl₂CoN₂
• 分子量: 489.208
• InChiKey: LFAHEWBRYCGTCA-DLBXORLNSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  cobalt(II) chloride 、 [1-(6-bromo-pyridin-2-yl)-ethylidene]-(2,6-diisopropyl-phenyl)-amine 以 四氢呋喃 为溶剂， 以91%的产率得到[(1-(6-bromopyridin-2-yl)ethylidene)(2,6-diisopropylphenyl)amine]cobalt(II) dichloride
  参考文献：
  名称：

  Electronic Influence of the Thienyl Sulfur Atom on the Oligomerization of Ethylene by Cobalt(II) 6-(Thienyl)-2-(imino)pyridine Catalysis

  摘要：

  The position of the sulfur atom in the thienyl group of 6-(thienyl)-2-(imino)pyridine ligands strongly affects the catalytic activity of the corresponding tetrahedral high-spin dihalide Co-II complexes in the oligomerization of ethylene to alpha-olefins upon activation with methylaluminoxane (MAO). Complexes with the sulfur atom in the 3-position of the thienyl ring catalyze the selective conversion of ethylene to 1-butene, while catalysts containing thien-2-yl groups give C-4-C-14 alpha-olefins. In situ EPR experiments showed the occurrence of a spin state changeover with the formation of low-spin Co-II species upon activation of the catalyst precursors by MAO. DFT calculations suggest that only thien-2-yl rings allow for the coordination of the sulfur atom to the cobalt center in the MAO-activated systems.

  DOI：

  10.1021/om0609665