N-苄基-3-(1-甲基-1H-吲哚-3-基)-3-苯基丙酰胺 | 1046672-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: N-苄基-3-(1-甲基-1H-吲哚-3-基)-3-苯基丙酰胺
• 英文名称: N-benzyl-3-(1-methyl-1H-indol-3-yl)-3-phenylpropanamide
• 英文别名: N-benzyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
• CAS: 1046672-11-0
• 化学式: C₂₅H₂₄N₂O
• 分子量: 368.478
• InChiKey: HLBQLVKQHLDZQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  34
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-甲基吲哚 、 丙二酸环(亚)异丙酯 、 苯甲醛 、 苄胺 以 乙腈 为溶剂， 反应 12.0h， 以91%的产率得到N-苄基-3-(1-甲基-1H-吲哚-3-基)-3-苯基丙酰胺
  参考文献：
  名称：

  Choline Chloride/Urea Ionic Liquid Catalyzed a Convenient One-Pot Synthesis of Indole-3-propanamide Derivatives

  摘要：

  A sequential three-component reaction of aromatic aldehydes with Meldrum's acid and N-methyl indole in the presence of choline chloride/urea ionic liquid as green catalyst has been described. In this one-pot multicomponent reaction, a series of indole-3-propanamide derivatives were synthesized with good to excellent yields. This methodology shows several advantages including fast reaction, easy isolation, operational simplicity that make it a useful and attractive option for the library generation of indole-3-propanamides (5a-l) for drug discovery. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resources: Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.769601

文献信息

• Choline Chloride/Urea Ionic Liquid Catalyzed a Convenient One-Pot Synthesis of Indole-3-propanamide Derivatives
  作者：Eranna Siddalingamurthy、Kittappa M. Mahadevan、Thamatakallu O. Shrungesh Kumar

  DOI：10.1080/00397911.2013.769601

  日期：2013.12.2

  A sequential three-component reaction of aromatic aldehydes with Meldrum's acid and N-methyl indole in the presence of choline chloride/urea ionic liquid as green catalyst has been described. In this one-pot multicomponent reaction, a series of indole-3-propanamide derivatives were synthesized with good to excellent yields. This methodology shows several advantages including fast reaction, easy isolation, operational simplicity that make it a useful and attractive option for the library generation of indole-3-propanamides (5a-l) for drug discovery. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resources: Full experimental and spectral details.]