ethyl 6-[1-((2,6-diisopropylphenyl)imino)ethyl]pyridine-2-carboxylate | 787616-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 6-[1-((2,6-diisopropylphenyl)imino)ethyl]pyridine-2-carboxylate
• 英文别名: (E)-ethyl 6-[1-(2,6-diisopropylphenylimino)ethyl]picolinate
• CAS: 787616-17-5
• 化学式: C₂₂H₂₈N₂O₂
• 分子量: 352.477
• InChiKey: WPENJIRGIMZBHY-XQNSMLJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  51.55
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 6-[1-((2,6-diisopropylphenyl)imino)ethyl]pyridine-2-carboxylate 、 iron(II) chloride 以 乙醇 为溶剂， 以83%的产率得到(ethyl 6-[1-((2,6-diisopropylphenyl)imino)ethyl]pyridine-2-carboxylate)FeCl2
  参考文献：
  名称：

  Synthesis, Characterization, and Ethylene Oligomerization and Polymerization of Ferrous and Cobaltous 2-(Ethylcarboxylato)-6-iminopyridyl Complexes

  摘要：

  A series of ferrous complexes (L)FeCl2 (3a-f) and cobaltous complexes (L)CoCl2 (4a-f) were prepared by the reaction of 2-(carboxylato)-6-iminopyridines 2a-f (2-COOEt-6-(2,6-R2C6H3N=CCH3)C5H3N: 2a, R = CH3; 2b, R = Et; 2c, R = i-Pr; 2d, R = F; 2e, R = Cl; 2f, R = Br) with FeCl2 or CoCl2. The obtained complexes were characterized by elemental analysis and IR spectroscopy, and the solid-state structures of 2b,c, 3b,c,e,f, and 4c,f were determined by X-ray diffraction analysis. X-ray crystallographic analyses of complexes 3c,e,f and 4c,f reveal a four-coordinated distorted-tetrahedral geometry, except for complex 3b, in which the tridentate ligand is coordinated through a weak bonding between iron and the carbonyl oxygen of the ester group. The complexes were studied for ethylene oligomerization and polymerization in the presence of methylaluminoxane (MAO) under various reaction conditions. It was found that the ferrous complexes exhibit higher activities for ethylene polymerization than for oligomerization, while the cobaltous complexes show higher activities for ethylene oligomerization. In addition, the ferrous catalytic systems predominantly produce linear oligomers and polyethylene with unsaturated end groups.

  DOI：

  10.1021/om0496636

文献信息

• Synthesis, characterization and catalytic behaviors of neutral nickel complexes: Arylnickel N-alkyl-6-(1-(arylimino)ethyl)picolinamide
  作者：Miao Shen、Peng Hao、Wen-Hua Sun

  DOI：10.1016/j.jorganchem.2008.01.004

  日期：2008.4

  A series of novel neutral nickel complexes, aryl (phenyl or naphthyl) nickel N-alkyl-6-(1-(arylimino)ethyl)picolinamides, were synthesized and characterized by NMR and IR spectroscopy and elemental analysis. Single-crystal X-ray diffraction analyses of the complexes C2, C3 and C7 reveal distorted square-planar geometry along with the molecular structure of one free ligand L1. On activation with diethylaluminum

  合成了一系列新颖的中性镍配合物，芳基（苯基或萘基）N-烷基-6-（1-（芳基）乙基）吡啶甲酸酰胺，并通过NMR和IR光谱及元素分析对其进行了表征。配合物C2，C3和C7的单晶X射线衍射分析显示扭曲的方平面几何形状以及一个游离配体L1的分子结构。在用二乙基氯化铝（Et 2 AlCl）活化后，镍络合物对乙烯低聚表现出中等的催化活性，在1当量的存在下，催化活性高达2.45×10 5  g mol -1（Ni）h -1。PPh 3。此外，这些配合物对Kumada-Corriu反应和甲基丙烯酸甲酯的聚合反应也显示出适度的活性。