(S)-2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-one | 145220-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: (S)-2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-one
• 英文别名: 2,3-Dihydro-2(S)-methyl-1,5-benzoxazepin-4(5H)-one；(2S)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
• CAS: 145220-43-5
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: ZPCZQESAHAVOLW-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-one 在 palladium on activated charcoal 氢气 、 potassium nitrate 、 三氟乙酸 作用下， 生成 2,3-Dihydro-7-isopropylamino-2(S)-methyl-1,5-benzoxazepin-4(5H)-one
  参考文献：
  名称：

  Oxazepines and thiazepines, XXIV synthesis of optically active 2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-ones

  摘要：

  2,3-Dihydro-2(R)-methyl-1,5-benzoxazepin-4(5H)-one E(R)-3] and its enantiomer (S)-3 have been synthesized via the optical resolution and subsequent chemical transformations of (+/-)-3-(2-nitrophenoxy)butyric acid (1). Compounds (R)-3 and (S)-3 were converted into optically active 1,5-benzoxazepines (R)-7-(R)-14 and (S)-15-(S)-32.

  DOI：

  10.1007/bf00811547
• 作为产物：
  描述：

  (S)-3-(2-Nitrophenoxy)butyric acid 在 palladium on activated charcoal 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 (S)-2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-one
  参考文献：
  名称：

  Oxazepines and thiazepines, XXIV synthesis of optically active 2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-ones

  摘要：

  2,3-Dihydro-2(R)-methyl-1,5-benzoxazepin-4(5H)-one E(R)-3] and its enantiomer (S)-3 have been synthesized via the optical resolution and subsequent chemical transformations of (+/-)-3-(2-nitrophenoxy)butyric acid (1). Compounds (R)-3 and (S)-3 were converted into optically active 1,5-benzoxazepines (R)-7-(R)-14 and (S)-15-(S)-32.

  DOI：

  10.1007/bf00811547

文献信息

• Oxazepines and thiazepines, XXIV synthesis of optically active 2,3-dihydro-2-methyl-1,5-benzoxazepin-4(5H)-ones
  作者：Albert Lévai、Jürgen Ott、Günther Snatzke

  DOI：10.1007/bf00811547

  日期：1992.10

  2,3-Dihydro-2(R)-methyl-1,5-benzoxazepin-4(5H)-one E(R)-3] and its enantiomer (S)-3 have been synthesized via the optical resolution and subsequent chemical transformations of (+/-)-3-(2-nitrophenoxy)butyric acid (1). Compounds (R)-3 and (S)-3 were converted into optically active 1,5-benzoxazepines (R)-7-(R)-14 and (S)-15-(S)-32.