N-(2-cyanoethyl)-3,4-dimethoxybenzamide | 1044508-44-2

• 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: N-(2-cyanoethyl)-3,4-dimethoxybenzamide
• CAS: 1044508-44-2
• 化学式: C₁₂H₁₄N₂O₃
• mdl: MFCD17995662
• 分子量: 234.255
• InChiKey: XAXVBGUPAJFKQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯甲醛肟 、 丙烯腈 在 三氯化铝 、 [bmim]Br 作用下， 反应 0.08h， 以80%的产率得到N-(2-cyanoethyl)-3,4-dimethoxybenzamide
  参考文献：
  名称：

  Combination of AlCl₃, Ionic Liquid, and Microwaves: An Efficient Method for Dehydration and 1,3-Dipolar Cycloaddition: An Unusual Observation in the Presence of Acrylonitrile

  摘要：

  Use of a combination of ionic liquids in the presence of aluminium chloride and microwave irradiation was shown to be a very efficient and high-yielding method for the dehydration of aldoximes and also for 1,3-dipolar cycloadditions. Surprisingly, the presence of acrylonitrile rendered an unusual formation of substituted amide.

  DOI：

  10.1080/00397910801997694

文献信息

• Combination of AlCl₃, Ionic Liquid, and Microwaves: An Efficient Method for Dehydration and 1,3-Dipolar Cycloaddition: An Unusual Observation in the Presence of Acrylonitrile
  作者：Radhika S. Kusurkar、Nilesh H. Naik、Prajakta N. Naik

  DOI：10.1080/00397910801997694

  日期：2008.5.23

  Use of a combination of ionic liquids in the presence of aluminium chloride and microwave irradiation was shown to be a very efficient and high-yielding method for the dehydration of aldoximes and also for 1,3-dipolar cycloadditions. Surprisingly, the presence of acrylonitrile rendered an unusual formation of substituted amide.