N-acetyl dihydro-2,3 benzodioxinne-1,4 carboximidate-2 d'ethyle | 130482-61-0

• 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: N-acetyl dihydro-2,3 benzodioxinne-1,4 carboximidate-2 d'ethyle
• 英文别名: N-acetyl 2,3-dihydro-1,4-benzodioxine-2-carboximidate d'ethyle；ethyl N-acetyl-2,3-dihydro-1,4-benzodioxine-3-carboximidate
• CAS: 130482-61-0
• 化学式: C₁₃H₁₅NO₄
• 分子量: 249.266
• InChiKey: PDAQRFQBYHBQMK-UHFFFAOYSA-N

物化性质

• 沸点：
  127-128 °C(Press: 0.1 Torr)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-acetyl dihydro-2,3 benzodioxinne-1,4 carboximidate-2 d'ethyle 、 2-(N,N-dimethylamino)ethoxyamine dihydrochloride 以 二氯甲烷 为溶剂， 反应 4.0h， 以95%的产率得到N1-acetyl O^N2-<2-(N,N-dimethylamino)-ethyl>-2,3-dihydro-1,4-benzodioxine-2-carboxamide-oxime chlorohydrate
  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
• 作为产物：
  描述：

  2,3-二氢苯并[1,4]二恶烷-2-甲腈 在 sodium methylate 作用下， 反应 28.0h， 生成 N-acetyl dihydro-2,3 benzodioxinne-1,4 carboximidate-2 d'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

• N-(Dialkylamino-2 éthyl) dihydro-2,3 benzodioxinne-1,4 carboximidamides-2: synthèse et activités pharmacologiques
  作者：C Davrinche、E Nguyen-Tri-Xuong、P Reynaud、ML Arnould-Guérin、G Tran、P Rinjard、F Pieri

  DOI：10.1016/0223-5234(90)90002-k

  日期：1990.6
• 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.