5-(1H-indole-3-ylmethylene)-2-thiooxo-4-imidazolidinone

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-(1H-indole-3-ylmethylene)-2-thiooxo-4-imidazolidinone
• 化学式: C₁₂H₉N₃OS
• 分子量: 243.289
• InChiKey: TZKUYIZWDAKOCL-BJMVGYQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.25
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  N-乙酰基吲哚-3-甲醛 、 potassium thioacyanate 、 聚甘氨酸 以25%的产率得到5-(1H-indole-3-ylmethylene)-2-thiooxo-4-imidazolidinone
  参考文献：
  名称：

  A multicomponent reaction efficiently producing arylmethylene 2-thiohydantoins

  摘要：

  We describe here a multicomponent reaction that converts aryl/heteroaryl aldehydes efficiently into arylmethylene 2-thiohydantoins. 3-Formylindole behaves exceptionally giving a gem-diacetylthio derivative. A mechanistic study of the behaviour of 3-formylindole, which provides a new class of indole derivative, is described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.076

文献信息

• Gulati, Deepa; Chauhan, P. M. S.; Pratap, Ram, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1994, vol. 33, # 1, p. 10 - 16
  作者：Gulati, Deepa、Chauhan, P. M. S.、Pratap, Ram、Bhakuni, D. S.

  DOI：——

  日期：——
• A multicomponent reaction efficiently producing arylmethylene 2-thiohydantoins
  作者：Sharad Porwal、Rishi Kumar、Prakas R. Maulik、Prem M.S. Chauhan

  DOI：10.1016/j.tetlet.2006.06.076

  日期：2006.8

  We describe here a multicomponent reaction that converts aryl/heteroaryl aldehydes efficiently into arylmethylene 2-thiohydantoins. 3-Formylindole behaves exceptionally giving a gem-diacetylthio derivative. A mechanistic study of the behaviour of 3-formylindole, which provides a new class of indole derivative, is described. (c) 2006 Elsevier Ltd. All rights reserved.