2-(4-methoxypyridin-2-yl)-4-(trifluoromethyl)quinoline | 1308264-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(4-methoxypyridin-2-yl)-4-(trifluoromethyl)quinoline
• 英文别名: 2-(4-Methoxypyridin-2-yl)-4-(trifluoromethyl)quinoline
• CAS: 1308264-98-3
• 化学式: C₁₆H₁₁F₃N₂O
• 分子量: 304.271
• InChiKey: DYICFHBKEUIUOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-三氟甲基-2-羟基喹啉 在 bis-triphenylphosphine-palladium(II) chloride 、 三苯基膦 、 三溴氧磷 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 2-(4-methoxypyridin-2-yl)-4-(trifluoromethyl)quinoline
  参考文献：
  名称：

  On the Mechanism of the Palladium-Catalyzed tert-Butylhydroperoxide-Mediated Wacker-Type Oxidation of Alkenes Using Quinoline-2-Oxazoline Ligands

  摘要：

  The mechanism of the tert-butylhydroperoxide-mediated, Pd(Quinox)-catalyzed Wacker-type oxidation was investigated to evaluate the hypothesis that a selective catalyst-controlled oxidation could be achieved by rendering the palladium coordinatively saturated using a bidentate amine ligand. The unique role of the Quinox ligand framework was probed via systematic ligand modifications. The modified ligands were evaluated through quantitative Hammett analysis, which supports a "push-pull" relationship between the electronically asymmetric quinoline and oxazoline ligand modules.

  DOI：

  10.1021/ja2017043

文献信息

• On the Mechanism of the Palladium-Catalyzed <i>tert</i>-Butylhydroperoxide-Mediated Wacker-Type Oxidation of Alkenes Using Quinoline-2-Oxazoline Ligands
  作者：Brian W. Michel、Laura D. Steffens、Matthew S. Sigman

  DOI：10.1021/ja2017043

  日期：2011.6.1

  The mechanism of the tert-butylhydroperoxide-mediated, Pd(Quinox)-catalyzed Wacker-type oxidation was investigated to evaluate the hypothesis that a selective catalyst-controlled oxidation could be achieved by rendering the palladium coordinatively saturated using a bidentate amine ligand. The unique role of the Quinox ligand framework was probed via systematic ligand modifications. The modified ligands were evaluated through quantitative Hammett analysis, which supports a "push-pull" relationship between the electronically asymmetric quinoline and oxazoline ligand modules.