4-(5-fluoro-1,3-benzoxazol-2-yl)benzonitrile | 1519829-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-fluoro-1,3-benzoxazol-2-yl)benzonitrile
• CAS: 1519829-39-0
• 化学式: C₁₄H₇FN₂O
• 分子量: 238.221
• InChiKey: KEEOIIQXQBSCOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.51
• 重原子数：
  18.0
• 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：
  49.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  对氯苯甲腈 、 5-氟苯并恶唑 在 NHC-Pd(II)-Im 、 lithium tert-butoxide 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以79%的产率得到4-(5-fluoro-1,3-benzoxazol-2-yl)benzonitrile
  参考文献：
  名称：

  Direct C–H Bond Arylation of (Benzo)oxazoles with Aryl Chlorides Catalyzed by N-Heterocyclic Carbene–Palladium(II)–1-Methylimidazole Complex

  摘要：

  The direct C-H bond arylation of (benzo)oxazoles with aryl chlorides was achieved catalyzed by a well-defined NHC-Pd(II)-Im complex. Under the optimal conditions, various aryl chlorides were successfully applied as the arylating reagents to achieve the 2-aryl (benzo)oxazoles in acceptable to high yields, providing a convenient and alternative method for the direct C-H bond arylation of (benzo)oxazoles and enriching the chemistry of the NHC-Pd(II) complex in organic synthesis.

  DOI：

  10.1021/ol500531m

文献信息

• Direct C–H Bond Arylation of (Benzo)oxazoles with Aryl Chlorides Catalyzed by <i>N</i>-Heterocyclic Carbene–Palladium(II)–1-Methylimidazole Complex
  作者：Xiao-Bao Shen、Yun Zhang、Wen-Xin Chen、Zheng-Kang Xiao、Ting-Ting Hu、Li-Xiong Shao

  DOI：10.1021/ol500531m

  日期：2014.4.4

  The direct C-H bond arylation of (benzo)oxazoles with aryl chlorides was achieved catalyzed by a well-defined NHC-Pd(II)-Im complex. Under the optimal conditions, various aryl chlorides were successfully applied as the arylating reagents to achieve the 2-aryl (benzo)oxazoles in acceptable to high yields, providing a convenient and alternative method for the direct C-H bond arylation of (benzo)oxazoles and enriching the chemistry of the NHC-Pd(II) complex in organic synthesis.