N-(2-bromo-4-methylphenyl)-N-(1-(3,4-dimethoxyphenyl)-2-oxo-2-((2,4,4-trimethylpentan-2-yl)amino)ethyl)-1H-indole-2-carboxamide | 1610623-69-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-bromo-4-methylphenyl)-N-(1-(3,4-dimethoxyphenyl)-2-oxo-2-((2,4,4-trimethylpentan-2-yl)amino)ethyl)-1H-indole-2-carboxamide
• CAS: 1610623-69-2
• 化学式: C₃₄H₄₀BrN₃O₄
• 分子量: 634.613
• InChiKey: BTNXYHYFGOZWLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.98
• 重原子数：
  42.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.66
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(2-bromo-4-methylphenyl)-N-(1-(3,4-dimethoxyphenyl)-2-oxo-2-((2,4,4-trimethylpentan-2-yl)amino)ethyl)-1H-indole-2-carboxamide 在 palladium diacetate 、 potassium carbonate 、 三苯基膦 作用下， 以 甲苯 为溶剂， 以65%的产率得到2-(3,4-dimethoxyphenyl)-2-(2-methyl-6-oxo-6,7-dihydro-5H-indolo[2,3-c]quinolin-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
  参考文献：
  名称：

  Synthesis of novel indolo[2,3-c]quinolinones via Ugi-4CR/palladium-catalyzed arylation

  摘要：

  In this letter, an expedient method was developed for the construction of novel indolo[2,3-c]quinolinone derivatives via palladium-catalyzed arylation of Ugi adducts obtained from the reaction of indole-2-carboxylic acid, various aromatic aldehydes, 2-bromoanilines, and isocyanides. The reaction proceeded efficiently with various starting materials to produce the indoloquinolinone scaffolds in good yields. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.079
• 作为产物：
  描述：

  吲哚-2-羧酸 、 2-溴-4-甲基苯胺 、 1,1,3,3-四甲基丁基异腈 、 3,4-二甲氧基苯甲醛 以 甲醇 为溶剂， 反应 24.0h， 以83%的产率得到N-(2-bromo-4-methylphenyl)-N-(1-(3,4-dimethoxyphenyl)-2-oxo-2-((2,4,4-trimethylpentan-2-yl)amino)ethyl)-1H-indole-2-carboxamide
  参考文献：
  名称：

  Synthesis of novel indolo[2,3-c]quinolinones via Ugi-4CR/palladium-catalyzed arylation

  摘要：

  In this letter, an expedient method was developed for the construction of novel indolo[2,3-c]quinolinone derivatives via palladium-catalyzed arylation of Ugi adducts obtained from the reaction of indole-2-carboxylic acid, various aromatic aldehydes, 2-bromoanilines, and isocyanides. The reaction proceeded efficiently with various starting materials to produce the indoloquinolinone scaffolds in good yields. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.079