3-(4-cyanophenyl)-N,N-dimethylpropanamide | 1174066-55-7

• 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: 3-(4-cyanophenyl)-N,N-dimethylpropanamide
• CAS: 1174066-55-7
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: DWUWUPVWBUHKRB-UHFFFAOYSA-N

物化性质

• 熔点：
  70-72 °C
• 沸点：
  371.9±35.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对氯苯甲腈 、 N,N-dimethyl-3-(trifluoro-λ⁴-boranyl)propanamide potassium salt 在 palladium diacetate 、 potassium carbonate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 水 、 甲苯 为溶剂， 反应 14.0h， 以81%的产率得到3-(4-cyanophenyl)-N,N-dimethylpropanamide
  参考文献：
  名称：

  Use of Potassium β-Trifluoroborato Amides in Suzuki−Miyaura Cross-Coupling Reactions

  摘要：

  Potassium beta-trifluoroborato amides were prepared and used as successful partners in Suzuki-Miyaura reactions with various aryl chlorides, including electron-rich and electron-poor derivatives, as well as several heteroaryl chloride partners.

  DOI：

  10.1021/jo900968h

文献信息

• Use of Potassium β-Trifluoroborato Amides in Suzuki−Miyaura Cross-Coupling Reactions
  作者：Gary A. Molander、Ludivine Jean-Gérard

  DOI：10.1021/jo900968h

  日期：2009.8.7

  Potassium beta-trifluoroborato amides were prepared and used as successful partners in Suzuki-Miyaura reactions with various aryl chlorides, including electron-rich and electron-poor derivatives, as well as several heteroaryl chloride partners.