2-(溴甲基)-3,1-苯并恶嗪-4-酮 | 43160-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 2-(溴甲基)-3,1-苯并恶嗪-4-酮
• 英文名称: 2-Bromomethyl-4H-3,1-benzoxazin-4-ones
• 英文别名: 2-Bromoacetyl-3,1-benzoxazine-4-one；2-bromomethyl-benzo[d][1,3]oxazin-4-one；2-Bromomethyl-3,1-benzoxazin-4-one；2-(bromomethyl)-3,1-benzoxazin-4-one
• CAS: 43160-23-2
• 化学式: C₉H₆BrNO₂
• 分子量: 240.056
• InChiKey: WEPHCGACXIAFJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  333.4±44.0 °C(Predicted)
• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-(溴甲基)-3,1-苯并恶嗪-4-酮 在 溶剂黄146 作用下， 以 苯 为溶剂， 反应 1.0h， 生成 3-Amino-2-(bromomethyl)quinazolin-4(3H)-one
  参考文献：
  名称：

  The synthesis of some 3-amino-2-halomethyl-, 2-halomethyl-3-(subst.amino)- and 2-halomethyl-3-hetarylquinazolin-4(3)-ones as potential plant protecting agents

  摘要：

  A series of N(2)-(2-halomethyl-4-oxo-3,4-dihydroquin-azolin-3-yl) carbazates 4 and 5 and 2-halomethyl-3-hetarylquinazolin--4-(3H)-ones 8 and 9 were obtained by reacting 2-halomethyl-4H-3,1-benzoaxin-4-ones (12) with alkyl carbazates and hetarylamines, respectively. Some of the carbazates 4 and 5 were obtained alternatively, by treatment of N-(2)-(2-aminobenzoyl)carbazate 15 with haloacetyl halides. The t-butyl carbazates 5 were converted into 3-amino-2-halomethylquin-azolin-4(3H)-ones (6), some of which were further converted into 3-(2,5-dimethylpyrrol-1-yl)-2-halomethylquinazolin-4(3H)-ones (7). 3-Amino-2-bromomethylquinazolin-4(3H)-one (6b) was also obtained by brominating its 2-methyl analogue 1 with cyanogen bromide.

  DOI：

  10.1016/s0040-4020(01)80886-3
• 作为产物：
  描述：

  2-(2-bromoacetamido)benzoic acid 在 乙酸酐 作用下， 反应 1.0h， 以75%的产率得到2-(溴甲基)-3,1-苯并恶嗪-4-酮
  参考文献：
  名称：

  The synthesis of some 3-amino-2-halomethyl-, 2-halomethyl-3-(subst.amino)- and 2-halomethyl-3-hetarylquinazolin-4(3)-ones as potential plant protecting agents

  摘要：

  A series of N(2)-(2-halomethyl-4-oxo-3,4-dihydroquin-azolin-3-yl) carbazates 4 and 5 and 2-halomethyl-3-hetarylquinazolin--4-(3H)-ones 8 and 9 were obtained by reacting 2-halomethyl-4H-3,1-benzoaxin-4-ones (12) with alkyl carbazates and hetarylamines, respectively. Some of the carbazates 4 and 5 were obtained alternatively, by treatment of N-(2)-(2-aminobenzoyl)carbazate 15 with haloacetyl halides. The t-butyl carbazates 5 were converted into 3-amino-2-halomethylquin-azolin-4(3H)-ones (6), some of which were further converted into 3-(2,5-dimethylpyrrol-1-yl)-2-halomethylquinazolin-4(3H)-ones (7). 3-Amino-2-bromomethylquinazolin-4(3H)-one (6b) was also obtained by brominating its 2-methyl analogue 1 with cyanogen bromide.

  DOI：

  10.1016/s0040-4020(01)80886-3

文献信息

• US4585793A
  申请人：——

  公开号：US4585793A

  公开（公告）日：1986-04-29
• US4847202A
  申请人：——

  公开号：US4847202A

  公开（公告）日：1989-07-11