4-Ethoxy-2H,5H-1-benzazepin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 4-Ethoxy-2H,5H-1-benzazepin-2-one
• 英文别名: 4-Ethoxy-1,5-dihydro-1-benzazepin-2-one
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: FMQNKWCWDJHOCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (三苯基膦烯)乙烯酮 、 (2-氨基苯基)-乙酸乙酯 以 xylene 为溶剂， 反应 12.0h， 以30%的产率得到4-Ethoxy-2H,5H-1-benzazepin-2-one
  参考文献：
  名称：

  Domino syntheses of five-, six- and seven-membered O-, N- and S-heterocycles from α-, β- and γ-substituted carboxylic esters

  摘要：

  By a one-pot procedure, tetronic acids, tetronates, coumarins, benzoxepinones and their N- and S-analogues are readily accessible from keteneylidene(triphenyl)phosphorane 2 and carboxylic esters bearing OH, NHR or SH groups in an alpha-, beta- or gamma-position by an addition/Wittig olefination/(Claisen rearrangement) sequence. This cascade can be controlled by temperature variation. Extension of this procedure by a further addition step yielding annulated bisheterocycles such as the furoquinolone 28 is possible in some cases.

  DOI：

  10.1039/p19960002799

文献信息

• Domino syntheses of five-, six- and seven-membered O-, N- and S-heterocycles from α-, β- and γ-substituted carboxylic esters
  作者：J. Löffler、R. Schobert

  DOI：10.1039/p19960002799

  日期：——

  By a one-pot procedure, tetronic acids, tetronates, coumarins, benzoxepinones and their N- and S-analogues are readily accessible from keteneylidene(triphenyl)phosphorane 2 and carboxylic esters bearing OH, NHR or SH groups in an alpha-, beta- or gamma-position by an addition/Wittig olefination/(Claisen rearrangement) sequence. This cascade can be controlled by temperature variation. Extension of this procedure by a further addition step yielding annulated bisheterocycles such as the furoquinolone 28 is possible in some cases.