pyridine-2-C6H2(t-Bu)2OH-6-C10H7 | 1191938-43-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: pyridine-2-C6H2(t-Bu)2OH-6-C10H7
• 英文别名: 2,4-Ditert-butyl-6-(6-naphthalen-1-ylpyridin-2-yl)phenol
• CAS: 1191938-43-8
• 化学式: C₂₉H₃₁NO
• 分子量: 409.571
• InChiKey: NMWAOTTWADSMOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  pyridine-2-C6H2(t-Bu)2OH-6-C10H7 、 tetra(benzyl)hafnium 以 乙醚 、 正戊烷 为溶剂， 以54%的产率得到[Hf(benzyl)2(pyridine-2-OC6H2(t-Bu)2-6-C10H6)]
  参考文献：
  名称：

  Indirect Substituent Effects upon the Olefin Polymerization Reactivity of Titanium(IV) Chelating σ-Aryl Catalysts

  摘要：

  The surprising impact of substituents that are seemingly remote from the active site upon the olefin polymerization characteristics of group 4 catalysts supported by pyridine-2-phenolate-6-(sigma-aryl) ancillary ligands are described. Excellent ethylene polymerization activities (up to 22 kg mmol(-1) h(-1) (mol/L C2)(-1)) with borate cocatalysts are observed at 100 degrees C. On the basis of an X-ray crystal structure, a steric origin is proposed for the effect, which influences polymerization behavior by modulating catalyst conformation. However, excessively bulky substituents adjacent to the catalytic center can counteract this effect and give diminished efficiencies.

  DOI：

  10.1021/om9004675