3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzofuran | 1620977-66-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzofuran
• 英文别名: 3-(Trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1-benzofuran；3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1-benzofuran
• CAS: 1620977-66-3
• 化学式: C₁₆H₈F₆O
• 分子量: 330.229
• InChiKey: VDMYXNWQWWTSGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴苯酚 、 1-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-4-(trifluoromethyl)benzene 在 palladium diacetate 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 以60%的产率得到3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzofuran
  参考文献：
  名称：

  Synthesis of 3-Trifluoromethylbenzofurans via Palladium-Catalyzed Tandem Elimination/Annulation of β-Chloro-β-(trifluoromethyl)styrenes with 2-Halophenols

  摘要：

  A palladium-catalyzed tandem elimination and annulation reaction has been developed. In this way, a variety of 3-trifluoromethybenzofurans were prepared in moderate to good yields via tandem reaction of beta-chloro-beta-(trifluoromethyl)styrenes with 2-iodophenols and 2-bromophenols.

  DOI：

  10.1055/s-0033-1338560

文献信息

• Synthesis of 3-Trifluoromethylbenzofurans via Palladium-Catalyzed Tandem Elimination/Annulation of β-Chloro-β-(trifluoromethyl)styrenes with 2-Halophenols
  作者：Lian-Hui Chen、Xing-Guo Zhang、Chong Wang、Chen-Liang Deng

  DOI：10.1055/s-0033-1338560

  日期：——

  A palladium-catalyzed tandem elimination and annulation reaction has been developed. In this way, a variety of 3-trifluoromethybenzofurans were prepared in moderate to good yields via tandem reaction of beta-chloro-beta-(trifluoromethyl)styrenes with 2-iodophenols and 2-bromophenols.