3-amino-8-methyl-4H-chromeno[3,4-d]isoxazol-4-one | 1245793-77-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-amino-8-methyl-4H-chromeno[3,4-d]isoxazol-4-one
• 英文别名: 3-Amino-8-methylchromeno[3,4-d][1,2]oxazol-4-one
• CAS: 1245793-77-4
• 化学式: C₁₁H₈N₂O₃
• 分子量: 216.196
• InChiKey: OLRUGLVKYCVXAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-amino-8-methyl-4H-chromeno[3,4-d]isoxazol-4-one 在 氘代二甲亚砜 作用下， 以 苯 为溶剂， 生成 2,2,2-trifluoro-N-(8-methyl-4-oxochromeno[3,4-d][1,3]oxazol-2-yl)acetamide
  参考文献：
  名称：

  Rearrangement of 3-aminoisoxazolo[4,5-c]coumarins into 2-aminooxazolo[4,5-c]coumarins mediated by carboxylic acid anhydrides

  摘要：

  Reactions of 3-amino-4H-chromeno[3,4-d]isoxazol-4-ones with acetic and trifluoroacetic anhydrides gave the corresponding acetyl derivatives, which were rearranged into 2-amino-4H-chromeno[3,4-d][1,3]oxazol-4-ones by heating in DMSO solution.

  DOI：

  10.1016/j.mencom.2010.06.009
• 作为产物：
  描述：

  3-甲酰基-6-甲基色酮肟 在 羟胺 、 sodium hydroxide 作用下， 以46%的产率得到3-amino-8-methyl-4H-chromeno[3,4-d]isoxazol-4-one
  参考文献：
  名称：

  Rearrangement of 3-aminoisoxazolo[4,5-c]coumarins into 2-aminooxazolo[4,5-c]coumarins mediated by carboxylic acid anhydrides

  摘要：

  Reactions of 3-amino-4H-chromeno[3,4-d]isoxazol-4-ones with acetic and trifluoroacetic anhydrides gave the corresponding acetyl derivatives, which were rearranged into 2-amino-4H-chromeno[3,4-d][1,3]oxazol-4-ones by heating in DMSO solution.

  DOI：

  10.1016/j.mencom.2010.06.009

文献信息

• Rearrangement of 3-aminoisoxazolo[4,5-c]coumarins into 2-aminooxazolo[4,5-c]coumarins mediated by carboxylic acid anhydrides
  作者：Vyacheslav Ya. Sosnovskikh、Vladimir S. Moshkin、Mikhail I. Kodess

  DOI：10.1016/j.mencom.2010.06.009

  日期：2010.7

  Reactions of 3-amino-4H-chromeno[3,4-d]isoxazol-4-ones with acetic and trifluoroacetic anhydrides gave the corresponding acetyl derivatives, which were rearranged into 2-amino-4H-chromeno[3,4-d][1,3]oxazol-4-ones by heating in DMSO solution.