2-(4-fluorophenylethynyl)-5-methylbenzoxazole | 1269217-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(4-fluorophenylethynyl)-5-methylbenzoxazole
• CAS: 1269217-80-2
• 化学式: C₁₆H₁₀FNO
• 分子量: 251.26
• InChiKey: LLMJKDBHLZUKHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  26.03
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4-氟苯乙炔 、 5-甲基苯并唑 在 四(三苯基膦)钯 、 lithium tert-butoxide 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以52%的产率得到2-(4-fluorophenylethynyl)-5-methylbenzoxazole
  参考文献：
  名称：

  Palladium-Catalyzed Oxidative Alkynylation of Heterocycles with Terminal Alkynes under Air Conditions

  摘要：

  Pd-Catalyzed oxidative alkynylation of azoles with terminal alkynes was developed via simultaneous activation of both heterocyclic sp(2) C-H and alkynyl sp C-H bonds. The choice of palladium catalyst source and external base resulted in being important factors for performing the reaction with high efficiency and selectivity, and air was successfully utilized as an environmental oxidant in the present alkynylation procedure.

  DOI：

  10.1021/ol200154s

文献信息

• Ligand and solvent-free iron catalyzed oxidative alkynylation of azoles with terminal alkynes
  作者：Sachin S. Patil、Rahul P. Jadhav、Sachin V. Patil、Vivek D. Bobade

  DOI：10.1016/j.tetlet.2011.08.083

  日期：2011.10

  A highly efficient and versatile iron catalyzed oxidative alkynylation of azoles with terminal alkynes under ligand and solvent-free conditions is described. (C) 2011 Elsevier Ltd. All rights reserved.