2-phenyl-8-(1-methylbenzimidazol-2-yl)quinoline | 1301759-16-9

• 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-phenyl-8-(1-methylbenzimidazol-2-yl)quinoline
• 英文别名: 8-(1-Methylbenzimidazol-2-yl)-2-phenylquinoline；8-(1-methylbenzimidazol-2-yl)-2-phenylquinoline
• CAS: 1301759-16-9
• 化学式: C₂₃H₁₇N₃
• 分子量: 335.408
• InChiKey: CKTLQLGABPWECV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-phenyl-8-(1-methylbenzimidazol-2-yl)quinoline 、 cobalt(II) chloride 以 乙醇 为溶剂， 以71.6%的产率得到
  参考文献：
  名称：

  Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene

  摘要：

  A series of (8-(benzoimidazol-2-yl)quinoline)dichlorocobalt(II) complexes was prepared and characterized, and single-crystal X-ray diffraction revealed the distorted-tetrahedral geometry around the cobalt atom. Activated with methylaluminoxane (MAO), these cobaltous complexes showed special properties of ethylene reactivity: ethylene oligomerization with an observed activity up to 3 x 10(4) g (mol of Co)(-1) h(-1) atm(-1) with reaction temperature lower than 60 degrees C at ambient or 10 atm ethylene pressure and ethylene polymerization with an observed activity up to 1 x 10(5) g (mol of Co)(-1) h(-1) atm(-1) with reaction temperature higher than 60 degrees C at 30 atm ethylene pressure, indicating two potentially active species formed at different reaction parameters. The obtained polyethylenes with high molecular weights and narrow molecular weight distributions, to the best of our knowledge, give the first proof of dichlorocobalt complex precatalysts bearing bidentate ligands acting as single-site catalysts in ethylene polymerization.

  DOI：

  10.1021/om2003392
• 作为产物：
  描述：

  邻苯二胺 在 potassium hydroxide 作用下， 以 丙酮 为溶剂， 反应 15.0h， 生成 2-phenyl-8-(1-methylbenzimidazol-2-yl)quinoline
  参考文献：
  名称：

  带有取代的8-（苯并咪唑-2-基）喹啉的二齿二氯化铁（II）配合物：合成，表征和乙烯聚合行为。

  摘要：

  该系列的Ñ -benzimidazolyl取代的2-烷基-8-（苯并咪唑-2-基）喹啉（L1 - L10）和2-苯基-8-（苯并咪唑-2-基）喹啉（L11 - L14）和它们各自的合成了二齿二齿二氯化铁（II）复合物（C1 – C14）并对其进行了充分表征。通过X射线晶体结构分析确定了代表性配体（L5）和铁配合物（C2，C7）的分子结构，并在配合物C2和C7的铁中心观察到扭曲的四面体配位几何。。用甲基铝氧烷活化铁络合物后，铁催化剂在高温（100°C）的乙烯聚合反应中显示出高达10 6 g·mol –1 ·h –1的活性，从而生成线性聚乙烯。优化了聚合反应的反应参数，讨论了不同配体的取代基对催化活性和所得聚乙烯的影响。

  DOI：

  10.1021/om200338b

文献信息

• Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior
  作者：Tianpengfei Xiao、Shu Zhang、Gerald Kehr、Xiang Hao、Gerhard Erker、Wen-Hua Sun

  DOI：10.1021/om200338b

  日期：2011.7.11

  The series of N-benzimidazolyl-substituted 2-alkyl-8-(benzimidazol-2-yl)quinolines (L1–L10) and 2-phenyl-8-(benzimidazol-2-yl)quinolines (L11–L14) and their respective bidentate iron(II) dichloride complexes (C1–C14) were synthesized and fully characterized. The molecular structures of a representative ligand (L5) and iron complexes (C2, C7) were determined by X-ray crystal structure analyses, and

  该系列的Ñ -benzimidazolyl取代的2-烷基-8-（苯并咪唑-2-基）喹啉（L1 - L10）和2-苯基-8-（苯并咪唑-2-基）喹啉（L11 - L14）和它们各自的合成了二齿二齿二氯化铁（II）复合物（C1 – C14）并对其进行了充分表征。通过X射线晶体结构分析确定了代表性配体（L5）和铁配合物（C2，C7）的分子结构，并在配合物C2和C7的铁中心观察到扭曲的四面体配位几何。。用甲基铝氧烷活化铁络合物后，铁催化剂在高温（100°C）的乙烯聚合反应中显示出高达10 6 g·mol –1 ·h –1的活性，从而生成线性聚乙烯。优化了聚合反应的反应参数，讨论了不同配体的取代基对催化活性和所得聚乙烯的影响。
• Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene
  作者：Tianpengfei Xiao、Peng Hao、Gerald Kehr、Xiang Hao、Gerhard Erker、Wen-Hua Sun

  DOI：10.1021/om2003392

  日期：2011.9.26

  A series of (8-(benzoimidazol-2-yl)quinoline)dichlorocobalt(II) complexes was prepared and characterized, and single-crystal X-ray diffraction revealed the distorted-tetrahedral geometry around the cobalt atom. Activated with methylaluminoxane (MAO), these cobaltous complexes showed special properties of ethylene reactivity: ethylene oligomerization with an observed activity up to 3 x 10(4) g (mol of Co)(-1) h(-1) atm(-1) with reaction temperature lower than 60 degrees C at ambient or 10 atm ethylene pressure and ethylene polymerization with an observed activity up to 1 x 10(5) g (mol of Co)(-1) h(-1) atm(-1) with reaction temperature higher than 60 degrees C at 30 atm ethylene pressure, indicating two potentially active species formed at different reaction parameters. The obtained polyethylenes with high molecular weights and narrow molecular weight distributions, to the best of our knowledge, give the first proof of dichlorocobalt complex precatalysts bearing bidentate ligands acting as single-site catalysts in ethylene polymerization.