7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one | 144537-23-5

• 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: 7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one
• 英文别名: 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one；7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one
• CAS: 144537-23-5
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: SPWWAGPHPLQOBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以90.2%的产率得到7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-benzo[f][1,4]oxazepine-5-thione
  参考文献：
  名称：

  Synthesis of 2,2-Dimethylbenzoxazepinones by the Schmidt Reaction of 2,2-Dimethyl-4-chromanones

  摘要：

  2,3-Dihydro-2,2-dimethyl-1,4-benzoxazepin-5(4H)-ones and 2,3-dihydro-2,2-dimethyl-1,5-benzoxazepin-4(5H)-ones have been synthesized by the Schmidt reaction of 2,2-dimethyl-4-chromanones. 2,2-Dimethylbenzoxazepinthiones have been prepared by the reaction of 2,2-dimethylbenzoxazepinones with Lawesson's Reagent.

  DOI：

  10.3987/com-92-5978
• 作为产物：
  描述：

  6,7-二甲氧基-2,2-二甲基-4-色满酮 在 sodium azide 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以54%的产率得到7,8-Dimethoxy-2,2-dimethyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one
  参考文献：
  名称：

  Synthesis of 2,2-Dimethylbenzoxazepinones by the Schmidt Reaction of 2,2-Dimethyl-4-chromanones

  摘要：

  2,3-Dihydro-2,2-dimethyl-1,4-benzoxazepin-5(4H)-ones and 2,3-dihydro-2,2-dimethyl-1,5-benzoxazepin-4(5H)-ones have been synthesized by the Schmidt reaction of 2,2-dimethyl-4-chromanones. 2,2-Dimethylbenzoxazepinthiones have been prepared by the reaction of 2,2-dimethylbenzoxazepinones with Lawesson's Reagent.

  DOI：

  10.3987/com-92-5978

文献信息

• Synthesis of 2,2-Dimethylbenzoxazepinones by the Beckmann Rearrangement of 2,2-Dimethyl-4-chromanone Oximes
  作者：Albert Lévai、G�or T葉h、Judit Hal�z、Tibor Tim�、L�zl� Frank、S�dor Hosztafi

  DOI：10.3987/com-93-6545

  日期：——

  2, 3-Dihydro-2,2-dimethyl-1,4-benzoxazepin-5(4H)-ones and 2,3-dihydro-2,2,6-trimethyl-1,5-benzoxazepin-4(5H)-ones have been synthesized by the Beckmann rearrangement of 2,2-dimethyl-4-chromanone oximes.
• Synthesis of 2,2-Dimethylbenzoxazepinones by the Schmidt Reaction of 2,2-Dimethyl-4-chromanones
  作者：Albert Lévai、Tibor Tim�、L�zl� Frank、S�dor Hosztafi

  DOI：10.3987/com-92-5978

  日期：——

  2,3-Dihydro-2,2-dimethyl-1,4-benzoxazepin-5(4H)-ones and 2,3-dihydro-2,2-dimethyl-1,5-benzoxazepin-4(5H)-ones have been synthesized by the Schmidt reaction of 2,2-dimethyl-4-chromanones. 2,2-Dimethylbenzoxazepinthiones have been prepared by the reaction of 2,2-dimethylbenzoxazepinones with Lawesson's Reagent.