| 1350754-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1350754-47-0
• 化学式: C₂₅H₃₂N₂O₂
• 分子量: 392.541
• InChiKey: LWJZICADFGDDID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.89
• 重原子数：
  29.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  36.28
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  、 sodium 2,6-diisopropylphenate 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Oligomerization of ethylene using tridentate nickel catalysts bearing ether-pyrazol ligands with pendant O- and S-donor groups

  摘要：

  A series of tridentate pyrazol ligands with pendant O- and S-donor groups (L1-L5) and their corresponding nickel (II) chloride complexes (1-5) were synthesized and fully characterized. All nickel precatalysts, activated with methylaluminoxane (MAO), exhibited high activities for ethylene oligomerization [TOF = 17.1-75.8 x 10(3) mol (ethylene)(mol(Ni))(-1) h(-1))] with good selectivities for 1-butene produced (62.9 - 81.3%). The catalytic performance was substantially affected by the ligand environment regarding the pendant oxygen- and sulfur-donor groups, and the substituents on the phenol group. Activation of nickel precatalyst 1 with ethylaluminum sesquichloride (Et3Al2Cl3. EASC) instead of MAO produced a significantly better catalyst system than 1/MAO (TOF = 227,000 vs. 30,900 (mol C2H4).(mol Ni-1 h(-1)); however, the 1-butene selectivity was drastically reduced, attaining only 28% with a concomitant production of larger amounts of internal butenes (51.4%) and hexones (28.2%). Under optimized conditions ([Ni] = 10 mu mol, 30 degrees C, oligomerization time = 20 min, 40 bar ethylene, [Al]/[Ni] = 250), precatalyst 1 led to TOF = 75,800 (mol C2H4).(mol Ni-1 h(-1)) and 76.1% selectivity for 1-butene. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2011.09.006