dimethyl 2-[1H-indol-3-yl(3-nitrophenyl)methyl]malonate | 1266221-13-9

• 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: dimethyl 2-[1H-indol-3-yl(3-nitrophenyl)methyl]malonate
• 英文别名: dimethyl 2-[1H-indol-3-yl-(3-nitrophenyl)methyl]propanedioate
• CAS: 1266221-13-9
• 化学式: C₂₀H₁₈N₂O₆
• 分子量: 382.373
• InChiKey: YERVCLQCXFOKBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  吲哚 、 间硝基苯甲醛 、 丙二酸二甲酯 在 ytterbium(III) triflate hydrate 作用下， 反应 12.0h， 以48%的产率得到dimethyl 2-[1H-indol-3-yl(3-nitrophenyl)methyl]malonate
  参考文献：
  名称：

  Ytterbium triflate catalyzed synthesis of β-functionalized indole derivatives

  摘要：

  Ytterbium triflate was shown to be effective in promoting the synthesis of substituted indole derivatives starting from indole, aldehydes, and dimethyl malonate by a Yonemitsu-type three component reaction. The whole process was carried out in solvent-free conditions and furnished the desired adducts in 42-67% yield. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.128

文献信息

• Ytterbium triflate catalyzed synthesis of β-functionalized indole derivatives
  作者：Francesco Epifano、Salvatore Genovese、Ornelio Rosati、Silvia Tagliapietra、Caroline Pelucchini、Massimo Curini

  DOI：10.1016/j.tetlet.2010.11.128

  日期：2011.2

  Ytterbium triflate was shown to be effective in promoting the synthesis of substituted indole derivatives starting from indole, aldehydes, and dimethyl malonate by a Yonemitsu-type three component reaction. The whole process was carried out in solvent-free conditions and furnished the desired adducts in 42-67% yield. (C) 2010 Elsevier Ltd. All rights reserved.