2-(benzo[b]thiophen-2-yl)-4,5-dihydro-5-methyleneoxazole | 1393588-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-(benzo[b]thiophen-2-yl)-4,5-dihydro-5-methyleneoxazole
• CAS: 1393588-35-6
• 化学式: C₁₂H₉NOS
• 分子量: 215.276
• InChiKey: OUPNYTQPJBJMFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  21.59
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  N-(prop-2-yn-1-yl)benzo[b]thiophene-2-carboxamide 在 zinc(II) iodide 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-(benzo[b]thiophen-2-yl)-4,5-dihydro-5-methyleneoxazole
  参考文献：
  名称：

  Facile, Selective, and Regiocontrolled Synthesis of Oxazolines and Oxazoles Mediated by ZnI₂ and FeCl₃

  摘要：

  An expedient method for a direct approach to the selective and regiocontrolled synthesis of 2-oxazolines and 2-oxazoles mediated by ZnI2 and FeCl3 is described. A Lewis acid promoted cyclization of acetylenic amide with various functionalities was well tolerated to give 2-oxazolines and 2-oxazoles in good to excellent yields under mild reaction conditions.

  DOI：

  10.1021/ol301980g