bis[2-(5-tert-butylpyrazolyl)ethyl]ether | 880546-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis[2-(5-tert-butylpyrazolyl)ethyl]ether
• 英文别名: 3-Tert-butyl-1-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]pyrazole
• CAS: 880546-71-4
• 化学式: C₁₈H₃₀N₄O
• 分子量: 318.462
• InChiKey: ZPBSRIIQPCPSDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  44.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 bis[2-(5-tert-butylpyrazolyl)ethyl]ether 以 甲醇 为溶剂， 以70%的产率得到[NiCl2(bis[2-(5-tert-butylpyrazolyl)ethyl)]ether)]*2H2O
  参考文献：
  名称：

  Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly Efficient Dimerization of Ethylene to 1-Butene

  摘要：

  A series of new pentacoordinated nickel complexes NiCl2(NZN) based on nitrogen-, oxygen-, or sulfur-bridged bis(pyrazolyl) ligands (NZN) were synthesized and characterized by elemental analysis and an X-ray diffraction study for NiCl2{bis[2-(3,5-dimethylpyrazolyl)ethyl)]amine} (1). Upon activation with methylaluminoxane (MAO), these complexes show high activity in ethylene oligomerization (TOF = 7-80 x 10(3) h(-1)), which varies according to the ligand environment. Up to 92% selectivity for 1-butene, combined with a TOF of 60 x 103 h(-1), has been obtained under moderate conditions (30 degrees C, 40 bar, MAO-to-Ni = 250) using NiCl2{bis[2-(5-phenylpyrazolyl)ethyl)]ether} (3) as the catalyst precursor.

  DOI：

  10.1021/om050920w