4-Amino-5-(4-bromo-benzoyl)-isoxazole-3-carboxylic acid methylamide | 830326-85-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Amino-5-(4-bromo-benzoyl)-isoxazole-3-carboxylic acid methylamide
• 英文别名: 3-Isoxazolecarboxamide, 4-amino-5-(4-bromobenzoyl)-N-methyl-；4-amino-5-(4-bromobenzoyl)-N-methyl-1,2-oxazole-3-carboxamide
• CAS: 830326-85-7
• 化学式: C₁₂H₁₀BrN₃O₃
• 分子量: 324.134
• InChiKey: WDWBJDYVLPXCJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  98.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[(Z)-2-(4-Bromo-phenyl)-2-oxo-ethoxyimino]-2-cyano-N-methyl-acetamide 在 lithium hydroxide 作用下， 以 水 为溶剂， 反应 8.0h， 以72%的产率得到4-Amino-5-(4-bromo-benzoyl)-isoxazole-3-carboxylic acid methylamide
  参考文献：
  名称：

  Synthesis of 4-aminoisoxazole-3-carboxamides using base-promoted nitrosation of N-substituted cyanoacetamides

  摘要：

  The reactions of N-substituted cyanoacetamides with EtONO in the presence of an equimolar amount of EtONa afforded the corresponding sodium salts of hydroxyiniino derivatives in 70-95% yields. The latter were transformed into 4-amino-5-(4-bromobenzoyl)isoxazole-3-carboxamides in 30-57% yields using the known method.

  DOI：

  10.1023/b:rucb.0000035646.13790.8a

文献信息

• Synthesis of 4-aminoisoxazole-3-carboxamides using base-promoted nitrosation of N-substituted cyanoacetamides
  作者：V. P. Kislyi、E. B. Danilova、E. P. Zakharov、V. V. Semenov

  DOI：10.1023/b:rucb.0000035646.13790.8a

  日期：2004.3

  The reactions of N-substituted cyanoacetamides with EtONO in the presence of an equimolar amount of EtONa afforded the corresponding sodium salts of hydroxyiniino derivatives in 70-95% yields. The latter were transformed into 4-amino-5-(4-bromobenzoyl)isoxazole-3-carboxamides in 30-57% yields using the known method.