2-(5-bromo-1H-indol-3-ylmethylene)-cyclohexane-1,3-dione | 1494469-91-8

• 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
• 英文名称: 2-(5-bromo-1H-indol-3-ylmethylene)-cyclohexane-1,3-dione
• 英文别名: 2-[(5-bromo-1H-indol-3-yl)methylidene]cyclohexane-1,3-dione
• CAS: 1494469-91-8
• 化学式: C₁₅H₁₂BrNO₂
• 分子量: 318.17
• InChiKey: MZLFSGKTEWOJMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-溴吲哚-3-甲醛 、 1,3-环己二酮 在 四丁基醋酸铵 作用下， 以87%的产率得到2-(5-bromo-1H-indol-3-ylmethylene)-cyclohexane-1,3-dione
  参考文献：
  名称：

  Novel, Recyclable, and Thermally Stable Task-Specific Ionic Liquid (TBA Acetate) Medium/Catalyst for the Synthesis of Indolylidinecyclic-1,3- and -1,4-diketones

  摘要：

  A simple and efficient synthesis of indolylidinethiazolidnediones (3) and indolylidinecyclic-1,3-diketones (5) has been developed by reaction of indole-3-aldehyde (1) with thiazolidinedione (2) or cyclic-1,3-diketones (4) using tetra butyl ammonium acetate (TBAA) melt as novel, cost-effective, and recyclable ionic liquid under solvent-free green conditions at 100 degrees C for 15-20min without additional use of catalyst. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.806988