3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)indolin-2-one | 688037-98-1

• 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: 3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)indolin-2-one
• 英文别名: 3'-hydroxy-2,5'-dimethyl-1',3'-dihydro-1H,2'H-3,3'-biindol-2'-one；3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
• CAS: 688037-98-1
• 化学式: C₁₈H₁₆N₂O₂
• 分子量: 292.337
• InChiKey: HVXXRYOVSSCAAY-UHFFFAOYSA-N

物化性质

• 熔点：
  226-228 °C
• 沸点：
  576.7±50.0 °C(Predicted)
• 密度：
  1.355±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基吲哚 、 5-甲基靛红 在 β-环糊精 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以93%的产率得到3-hydroxy-5-methyl-3-(2-methyl-1H-indol-3-yl)indolin-2-one
  参考文献：
  名称：

  Supramolecular Synthesis of 3-Indolyl-3-hydroxy Oxindoles under Neutral Conditions in Water

  摘要：

  [GRAPHICS]Various 3-indolyl-3-hydroxy oxindoles were prepared for the first time by supramolecular catalysis involving the reaction of beta-CD:isatin complexes with indoles under neutral conditions in water. beta-Cyclodextrin can be recovered and reused a number of times without loss of activity.

  DOI：

  10.1021/jo702496s

文献信息

• Kaolin/KOH Is an Efficient Heterogeneous Catalyst for the Synthesis of 3-Hydroxy-3-indolyl Oxindoles
  作者：G. Srihari、M. Marthanda Murthy

  DOI：10.1080/00397911.2010.515342

  日期：2011.9.15

  3-Hydroxy-3-indolyl oxindoles were synthesized from isatins and indoles in good to excellent yields by using heterogeneous catalyst kaolin preloaded with KOH.
• Supramolecular Synthesis of 3-Indolyl-3-hydroxy Oxindoles under Neutral Conditions in Water
  作者：V. Pavan Kumar、V. Prakash Reddy、R. Sridhar、B. Srinivas、M. Narender、K. Rama Rao

  DOI：10.1021/jo702496s

  日期：2008.2.1

  [GRAPHICS]Various 3-indolyl-3-hydroxy oxindoles were prepared for the first time by supramolecular catalysis involving the reaction of beta-CD:isatin complexes with indoles under neutral conditions in water. beta-Cyclodextrin can be recovered and reused a number of times without loss of activity.