5-trifluoromethyl-1-(2-fluorophenyl)-2-phenyl-1H-indole

• 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: 5-trifluoromethyl-1-(2-fluorophenyl)-2-phenyl-1H-indole
• 英文别名: 1-(2-Fluorophenyl)-2-phenyl-5-(trifluoromethyl)indole；1-(2-fluorophenyl)-2-phenyl-5-(trifluoromethyl)indole
• 化学式: C₂₁H₁₃F₄N
• 分子量: 355.335
• InChiKey: AKHZOVAJRZIYCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯-3-碘三氟甲苯 在 palladium diacetate copper(l) iodide 、 potassium tert-butylate 、 caesium carbonate 、 1,3-双(2,6-二异丙基苯基)氯化咪唑鎓 作用下， 以 甲苯 为溶剂， 反应 23.0h， 生成 5-trifluoromethyl-1-(2-fluorophenyl)-2-phenyl-1H-indole
  参考文献：
  名称：

  Three-component indole synthesis using ortho-dihaloarenes

  摘要：

  A three-component synthesis of substituted indoles is accomplished starting from ortho-dihaloarenes through the use of a multicatalytic system consisting of an N-heterocyclic carbene palladium complex and CuI. The corresponding indole derivatives are obtained as single regioisomers in high yields of isolated product. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.095

文献信息

• Three-component indole synthesis using ortho-dihaloarenes
  作者：Ludwig T. Kaspar、Lutz Ackermann

  DOI：10.1016/j.tet.2005.09.095

  日期：2005.11

  A three-component synthesis of substituted indoles is accomplished starting from ortho-dihaloarenes through the use of a multicatalytic system consisting of an N-heterocyclic carbene palladium complex and CuI. The corresponding indole derivatives are obtained as single regioisomers in high yields of isolated product. (c) 2005 Elsevier Ltd. All rights reserved.