2-(2-phenylbenzofuran-3-yl)-5-{(4-trifluoromethyl)phenyl}-1,3,4-oxadiazole | 1309444-92-5

• 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: 2-(2-phenylbenzofuran-3-yl)-5-{(4-trifluoromethyl)phenyl}-1,3,4-oxadiazole
• 英文别名: 2-(2-Phenyl-1-benzofuran-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
• CAS: 1309444-92-5
• 化学式: C₂₃H₁₃F₃N₂O₂
• 分子量: 406.364
• InChiKey: WUXYJBNMRVLQFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(4-(三氟甲基)苯基)-1,3,4-噁二唑 、 2-(2-苯基乙炔基)苯酚 在 copper (II)-fluoride 、 potassium phosphate 、 1,10-菲罗啉 、 甲基萘 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以66%的产率得到2-(2-phenylbenzofuran-3-yl)-5-{(4-trifluoromethyl)phenyl}-1,3,4-oxadiazole
  参考文献：
  名称：

  Copper-Mediated Annulative Direct Coupling of o-Alkynylphenols with Oxadiazoles: A Dehydrogenative Cascade Construction of Biheteroaryls

  摘要：

  A copper-mediated annulative direct coupling of o-alkynylphenols with 1,3,4-oxadiazoles proceeds smoothly even under ambient conditions to afford the corresponding biheteroaryls. The reaction system represents a new avenue for the construction of biheteroaryl molecules of interest in their biological and physical properties.

  DOI：

  10.1021/ol200975j

文献信息

• Copper-Mediated Annulative Direct Coupling of <i>o</i>-Alkynylphenols with Oxadiazoles: A Dehydrogenative Cascade Construction of Biheteroaryls
  作者：Hitoshi Hachiya、Koji Hirano、Tetsuya Satoh、Masahiro Miura

  DOI：10.1021/ol200975j

  日期：2011.6.17

  A copper-mediated annulative direct coupling of o-alkynylphenols with 1,3,4-oxadiazoles proceeds smoothly even under ambient conditions to afford the corresponding biheteroaryls. The reaction system represents a new avenue for the construction of biheteroaryl molecules of interest in their biological and physical properties.