NiCl2{1-(3-phenoxypropyl)-3-phenyl-1H-pyrazole} | 1422519-59-2

• 英文名称: NiCl2{1-(3-phenoxypropyl)-3-phenyl-1H-pyrazole}
• 英文别名: NiCl₂{1-(3-phenoxypropyl)-3-phenyl-1H-pyrazole}
• CAS: 1422519-59-2
• 化学式: C₁₈H₁₈Cl₂N₂NiO
• 分子量: 407.95
• InChiKey: ULDVVKPONNNTDF-UHFFFAOYSA-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：

  3-苯基吡唑 、 3-苯氧基溴丙烷 在 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 NiCl2{1-(3-phenoxypropyl)-3-phenyl-1H-pyrazole}
  参考文献：
  名称：

  Nickel catalysts based on phenyl ether-pyrazol ligands: Synthesis, XPS study, and use in ethylene oligomerization

  摘要：

  A series of nickel(II) complexes bearing phenyl ether-pyrazol ligands [NiCl2L] (Ni1: L=3,5-dimethyl-1-(3-phenoxypropyl)-1H-pyrazole; Ni2: L=1-(3-phenoxypropyl)-3-phenyl-1H-pyrazole; Ni3: L=3,5-di-tert-butyl-1-(3-phenoxypropyl)-1H-pyrazole; Ni4: L=1-(3-phenoxypropyl)-1H-pyrazole) were synthesized and fully characterized by elemental analysis, high-resolution mass spectrometry (HRMS) and X-ray photoelectron spectroscopy (XPS). X-ray photoelectron data illustrates that the probability of (co)existing dimeric species increases in the following order: Ni4 < Ni1 < Ni2 < Ni3. All nickel precatalysts, activated with methylaluminoxane (MAO), exhibited moderate to high activities for ethylene oligomerization [TOF = 18.4-45.7 x 10(3) mol(ethylene)(mol(Ni))(-1) h(-1))] with good selectivities for 1-butene produced (62.6-80.7%). The ligand environment regarding the substituents on the pyrazolyl unit as well as the reaction parameters influence the catalytic performance and selectivity toward production of 1-butene. When activated with ethylaluminum sesquichloride (Et3Al2Cl3, EASC), Nil displayed low catalytic activity (TOF = 9300 (mol C2H4).(mol Ni-1 h(-1)); however, the 1-butene selectivity was increased, attaining 92.5%. The use of triphenylphosphine (PPh3) as auxiliary ligand afforded highly active catalyst system [TOF = 118.3 x 10(3) mol(ethylene)(mol(Ni))(-1) h(-1))] with poor selectivity for production of 1-butene (13.7%). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2012.12.031