2-acetyl-1,10-phenanthroline(2-bromo-4-fluoroanil) | 915016-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-acetyl-1,10-phenanthroline(2-bromo-4-fluoroanil)
• 英文别名: N-(2-bromo-4-fluorophenyl)-1-(1,10-phenanthrolin-2-yl)ethanimine
• CAS: 915016-72-7
• 化学式: C₂₀H₁₃BrFN₃
• 分子量: 394.246
• InChiKey: AEEPAVZKAIPSRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 2-acetyl-1,10-phenanthroline(2-bromo-4-fluoroanil) 以 四氢呋喃 为溶剂， 以87%的产率得到[2-((2-Br-4-F-C6H3)NC(Me))-1,10-phen]FeCl2
  参考文献：
  名称：

  Iron(II) complexes ligated by 2-imino-1,10-phenanthrolines: Preparation and catalytic behavior toward ethylene oligomerization

  摘要：

  A series of N,N,N-tridentate iron (II) complexes bearing 2-imino-1,10-phenanthrolines, [2-{(2,6-R-1,R-3-4-R-2-C6H2)N=C(R)}-1,10-phen]FeCl2 was synthesized and characterized by IR spectroscopy and elemental analysis. One of these complexes (18b) was determined by single-crystal X-ray crystallography for its unambiguous structure. These iron(II) complexes were found to exhibit remarkable activities for ethylene oligomerization in the presence of MAO or MMAO cocatalyst affording alpha-olefins with high selectivity and the composition of oligomers followed the Schluz-Flory distribution. The effects of substituents on imino fragment on the activity were explored in detail; complexes with mono substituent at the ortho-position of the phenyl ring showed high activities with low K values, suggesting that fine tuning of the steric bulk of substituents on the imino fragment directly affects both the activity and the selectivity. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2007.01.008