O^N-<2-(N,N-dimethylamino)ethyl>-2,3-dihydro-1,4-benzodioxane-2-carbohydroximate de O-ethyle

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: O^N-<2-(N,N-dimethylamino)ethyl>-2,3-dihydro-1,4-benzodioxane-2-carbohydroximate de O-ethyle
• 英文别名: O^N-[2-(N,N-dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxane-2-carbohydroximate de O-ethyle；ethyl N-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate
• 化学式: C₁₅H₂₂N₂O₄
• 分子量: 294.351
• InChiKey: LTFWUFCHSMOZMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.52
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,3-二氢苯并[1,4]二恶烷-2-甲腈 在 potassium chloride 、 硫化氢 、 sodium methylate 作用下， 以 吡啶 、 乙醇 为溶剂， 反应 48.0h， 生成 O^N-<2-(N,N-dimethylamino)ethyl>-2,3-dihydro-1,4-benzodioxane-2-carbohydroximate de O-ethyle
  参考文献：
  名称：

  Amide-oximes et hydroximates benzodioxaniques: synthèse de nouveaux composés et étude en neuropsycho-pharmacologie

  摘要：

  The authors describe the O(N)-(dialkylaminoalkyl) amide-oximes, benzodioxanic hydroximates and also the acetylated derivatives of the former compounds (I) which are detoxified. The hydroximates are obtained without structural ambiguity from thiono-esters. Pharmacological testing via the main methods shows that some of these new compounds possess imipraminic, and others neuroleptic properties.

  DOI：

  10.1016/0223-5234(92)90111-d

文献信息

• Amide-oximes et hydroximates benzodioxaniques: synthèse de nouveaux composés et étude en neuropsycho-pharmacologie
  作者：C Davrinche、E Nguyen-Tri-Xuong、Y El Hamad、P Reynaud、P Rinjard、G Tran

  DOI：10.1016/0223-5234(92)90111-d

  日期：1992.11

  The authors describe the O(N)-(dialkylaminoalkyl) amide-oximes, benzodioxanic hydroximates and also the acetylated derivatives of the former compounds (I) which are detoxified. The hydroximates are obtained without structural ambiguity from thiono-esters. Pharmacological testing via the main methods shows that some of these new compounds possess imipraminic, and others neuroleptic properties.