8-bromo-6-methyl-2-oxo-1H-3,2lambda4,1-benzoxathiazin-4-one | 1026188-34-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 8-bromo-6-methyl-2-oxo-1H-3,2lambda4,1-benzoxathiazin-4-one
• 英文别名: 8-bromo-6-methyl-2-oxo-1H-3,2λ4,1-benzoxathiazin-4-one
• CAS: 1026188-34-0
• 化学式: C₈H₆BrNO₃S
• 分子量: 276.111
• InChiKey: UOKJPAKMPJFASK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-benzyl-5-methylanthranilic acid 、 8-bromo-6-methyl-2-oxo-1H-3,2lambda4,1-benzoxathiazin-4-one 以 氯仿 为溶剂， 反应 5.0h， 以68%的产率得到11-Benzyl-4-bromo-2,8-dimethyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione
  参考文献：
  名称：

  Dilactams. Synthesis of nonsymmetrical dibenzodiazocinediones 1

  摘要：

  We report the first examples of nonsymmetrical dibenzodiazoeinediones, mono-, di-, tri- and tetra-substituted in the aromatic rings including a benzo pyridino diazocine, by a new short method without the requirement of protection. The procedure involves conversion of an anthranilic acid to its sulfinamide lactone followed by direct heating with a different N-alkylanthranilic acid. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.079
• 作为产物：
  描述：

  2-氨基-3-溴-5-甲基苯甲酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 8-bromo-6-methyl-2-oxo-1H-3,2lambda4,1-benzoxathiazin-4-one
  参考文献：
  名称：

  Dilactams. Synthesis of nonsymmetrical dibenzodiazocinediones 1

  摘要：

  We report the first examples of nonsymmetrical dibenzodiazoeinediones, mono-, di-, tri- and tetra-substituted in the aromatic rings including a benzo pyridino diazocine, by a new short method without the requirement of protection. The procedure involves conversion of an anthranilic acid to its sulfinamide lactone followed by direct heating with a different N-alkylanthranilic acid. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.079

文献信息

• Dilactams. Synthesis of nonsymmetrical dibenzodiazocinediones 1
  作者：Alfred Hassner、Bin Sun、Gary Gellermann、Simcha Meir

  DOI：10.1016/j.tetlet.2003.12.079

  日期：2004.2

  We report the first examples of nonsymmetrical dibenzodiazoeinediones, mono-, di-, tri- and tetra-substituted in the aromatic rings including a benzo pyridino diazocine, by a new short method without the requirement of protection. The procedure involves conversion of an anthranilic acid to its sulfinamide lactone followed by direct heating with a different N-alkylanthranilic acid. (C) 2003 Elsevier Ltd. All rights reserved.