1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2(1H)-one | 1584633-30-6

• 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: 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2(1H)-one
• 英文别名: 1-Acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one；1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2-one
• CAS: 1584633-30-6
• 化学式: C₁₉H₁₃F₂NO₂
• 分子量: 325.315
• InChiKey: OLSOSGBFQPHGOQ-UHFFFAOYSA-N

物化性质

• 熔点：
  94.5-96.1 °C
• 沸点：
  474.4±45.0 °C(predicted)
• 密度：
  1.329±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氟苯乙炔 、 对氟碘苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氧气 、 palladium diacetate 、 三乙胺 、 copper(ll) bromide 作用下， 以 溶剂黄146 为溶剂， 反应 16.0h， 生成 1-acetyl-5,6-bis(4-fluorophenyl)pyridin-2(1H)-one
  参考文献：
  名称：

  Palladium-Catalyzed Oxidative Annulation of Acrylic Acid and Amide with Alkynes: A Practical Route to Synthesize α-Pyrones and Pyridones

  摘要：

  A range of internal alkynes smoothly underwent palladium-catalyzed oxidative annulations with acrylic acid and amide to afford alpha-pyrones and pyridones in good to excellent yields with high regioselectivity. The usage of O-2 (1 atm) as a stoichiometric oxidant with H2O as the only byproduct under mild conditions makes this process more attractive and practical.

  DOI：

  10.1021/ol500611d

文献信息

• Palladium-Catalyzed Oxidative Annulation of Acrylic Acid and Amide with Alkynes: A Practical Route to Synthesize α-Pyrones and Pyridones
  作者：Yue Yu、Liangbin Huang、Wanqing Wu、Huanfeng Jiang

  DOI：10.1021/ol500611d

  日期：2014.4.18

  A range of internal alkynes smoothly underwent palladium-catalyzed oxidative annulations with acrylic acid and amide to afford alpha-pyrones and pyridones in good to excellent yields with high regioselectivity. The usage of O-2 (1 atm) as a stoichiometric oxidant with H2O as the only byproduct under mild conditions makes this process more attractive and practical.