N-(2-cyanophenyl)-2-morpholin-4-ylacetamide | 189757-27-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2-cyanophenyl)-2-morpholin-4-ylacetamide
• 英文别名: N-(2-cyanophenyl)-2-(morpholin-4-yl)acetamide
• CAS: 189757-27-5
• 化学式: C₁₃H₁₅N₃O₂
• mdl: MFCD00169473
• 分子量: 245.281
• InChiKey: TWYBWIAHNGOYRH-UHFFFAOYSA-N

物化性质

• 沸点：
  479.9±40.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)
• 溶解度：
  >36.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-cyanophenyl)-2-morpholin-4-ylacetamide 在 potassium tert-butylate 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 4-amino-2-anilino-3-morpholinoquinoline
  参考文献：
  名称：

  3-Amino-2(1H)-quinolones by Cyclizaion of N-Acylated Anthranilic Acid Derivatives

  摘要：

  Reaction of secondary amines with the N-(iodoacetyl)anthranilic acid derivatives, 2-(iodoacetylamino)acetophenone and 2-(iodoacetylamino)benzophenone yields 3-amino-2(1H)-quinolones in two steps. Analogously heterocondensed 5-amino-6(7H)-pyrazolo[5,4-b]pyridones were prepared. Hydroxyquinolines were subjected to Cl/OH exchange to give chloroquinolines, which are convenient for consecutive reactions.

  DOI：

  10.3987/com-96-7700
• 作为产物：
  描述：

  吗啉 、 2-(Iodacetylamino)benzonitril 反应 0.5h， 以87%的产率得到N-(2-cyanophenyl)-2-morpholin-4-ylacetamide
  参考文献：
  名称：

  3-Amino-2(1H)-quinolones by Cyclizaion of N-Acylated Anthranilic Acid Derivatives

  摘要：

  Reaction of secondary amines with the N-(iodoacetyl)anthranilic acid derivatives, 2-(iodoacetylamino)acetophenone and 2-(iodoacetylamino)benzophenone yields 3-amino-2(1H)-quinolones in two steps. Analogously heterocondensed 5-amino-6(7H)-pyrazolo[5,4-b]pyridones were prepared. Hydroxyquinolines were subjected to Cl/OH exchange to give chloroquinolines, which are convenient for consecutive reactions.

  DOI：

  10.3987/com-96-7700

文献信息

• 3-Amino-2(1H)-quinolones by Cyclizaion of N-Acylated Anthranilic Acid Derivatives
  作者：Matthias Rehwald、Karl Gewald、Hans-Joachim Lankau、Klaus Unverferth

  DOI：10.3987/com-96-7700

  日期：——

  Reaction of secondary amines with the N-(iodoacetyl)anthranilic acid derivatives, 2-(iodoacetylamino)acetophenone and 2-(iodoacetylamino)benzophenone yields 3-amino-2(1H)-quinolones in two steps. Analogously heterocondensed 5-amino-6(7H)-pyrazolo[5,4-b]pyridones were prepared. Hydroxyquinolines were subjected to Cl/OH exchange to give chloroquinolines, which are convenient for consecutive reactions.