11-ethyl-3-(trifluoromethyl)benzo[f]pyrido[3,2-b][1,4]oxazepin-10(11H)-one | 1321192-32-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 11-ethyl-3-(trifluoromethyl)benzo[f]pyrido[3,2-b][1,4]oxazepin-10(11H)-one
• 英文别名: 5-Ethyl-2-(trifluoromethyl)pyrido[3,2-b][1,4]benzoxazepin-6-one；5-ethyl-2-(trifluoromethyl)pyrido[3,2-b][1,4]benzoxazepin-6-one
• CAS: 1321192-32-8
• 化学式: C₁₅H₁₁F₃N₂O₂
• 分子量: 308.26
• InChiKey: KIGGCLRCNGLGPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-乙基-2-羟基苯甲酰胺 、 2,3-二氯-5-三氟甲基吡啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以89%的产率得到11-ethyl-3-(trifluoromethyl)benzo[f]pyrido[3,2-b][1,4]oxazepin-10(11H)-one
  参考文献：
  名称：

  Regioselective Synthesis of Fused Oxazepinone Scaffolds through One-Pot Smiles Rearrangement Tandem Reaction

  摘要：

  The paper describes a convenient and facile methodology for the regioselective synthesis of fused oxazepinone scaffolds. This process is an efficient construction of the oxazepinone scaffold by a one-pot coupling/Smiles rearrangement/cyclization approach. This transition metal-free process has potential applications in the synthesis of biologically and medicinally relevant compounds.

  DOI：

  10.1021/co2001058

文献信息

• Regioselective Synthesis of Fused Oxazepinone Scaffolds through One-Pot Smiles Rearrangement Tandem Reaction
  作者：Yanli Liu、Chunxiao Chu、Aiping Huang、Chunjing Zhan、Ying Ma、Chen Ma

  DOI：10.1021/co2001058

  日期：2011.9.12

  The paper describes a convenient and facile methodology for the regioselective synthesis of fused oxazepinone scaffolds. This process is an efficient construction of the oxazepinone scaffold by a one-pot coupling/Smiles rearrangement/cyclization approach. This transition metal-free process has potential applications in the synthesis of biologically and medicinally relevant compounds.