ethyl N-(2,5-dimethoxy-4-nitrophenyl)oxanilate | 92643-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl N-(2,5-dimethoxy-4-nitrophenyl)oxanilate
• 英文别名: ethyl 2-(2,5-dimethoxy-4-nitroanilino)-2-oxoacetate
• CAS: 92643-78-2
• 化学式: C₁₂H₁₄N₂O₇
• 分子量: 298.252
• InChiKey: PEANCWOGBCIITH-UHFFFAOYSA-N

物化性质

• 熔点：
  146-147 °C
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  117.0
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ethyl N-(2,5-dimethoxy-4-nitrophenyl)oxanilate 在 palladium on activated charcoal 氢气 、 三溴化硼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 25.0~130.0 ℃ 、275.79 kPa 条件下， 反应 122.0h， 生成 2,5-dihydroxy-1,4-phenylenediiminobis(oxoacetic acid)
  参考文献：
  名称：

  [1,4]Benzoxazine-2,3-diones as antiallergic agents

  摘要：

  The synthesis of a series of [1,4]benzoxazine-2,3-diones and a new class of compounds, benzobisoxazinetetrones, is described. These compounds were evaluated for their effect in the rat mast cell (RMC) test passively sensitized in vitro with rat antiovalbumin serum and for their effect in inhibitory passive cutaneous anaphylaxis (PCA) in the rat. Some of these compounds are of the same potency level as disodium cromglycate in the RMC test and some are effective orally in PCA.

  DOI：

  10.1021/jm00379a006
• 作为产物：
  描述：

  2,5-二甲氧基-4-硝基苯胺 、 草酰氯单乙酯 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以95.6%的产率得到ethyl N-(2,5-dimethoxy-4-nitrophenyl)oxanilate
  参考文献：
  名称：

  [1,4]Benzoxazine-2,3-diones as antiallergic agents

  摘要：

  The synthesis of a series of [1,4]benzoxazine-2,3-diones and a new class of compounds, benzobisoxazinetetrones, is described. These compounds were evaluated for their effect in the rat mast cell (RMC) test passively sensitized in vitro with rat antiovalbumin serum and for their effect in inhibitory passive cutaneous anaphylaxis (PCA) in the rat. Some of these compounds are of the same potency level as disodium cromglycate in the RMC test and some are effective orally in PCA.

  DOI：

  10.1021/jm00379a006

文献信息

• LOEV, B.;HUANG, FU-CHIH
  作者：LOEV, B.、HUANG, FU-CHIH

  DOI：——

  日期：——
• LOEV, B.;JONES, H.;BROWN, R. E.;HUANG, FU-CHIH;KHANDWALA, A.;LEIBOWITZ, M+, J. MED. CHEM., 1985, 28, N 1, 24-27
  作者：LOEV, B.、JONES, H.、BROWN, R. E.、HUANG, FU-CHIH、KHANDWALA, A.、LEIBOWITZ, M+

  DOI：——

  日期：——