2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]phenol | 1133807-37-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]phenol
• CAS: 1133807-37-0
• 化学式: C₉H₆ClF₃O
• 分子量: 222.594
• InChiKey: CZELRUSPDVKYEU-YVMONPNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [2-(2-Chloro-3,3,3-trifluoroprop-1-enyl)phenyl] acetate 在 potassium tert-butylate 、 水 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 、 2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]phenol
  参考文献：
  名称：

  Novel Route to 2-Trifluoromethylated Benzofurans

  摘要：

  A novel route for the synthesis of a variety of 2-trifluoromethylbenzofurans is reported. By selection of solvents, the key intermediates, 2-chloro-3,3,3-trifluoropropenyl phenyl acetates, were cyclized either to give 2-trifluoromethyl-substituted benzofurans or to yield trifluoromethyl modified o-alkynylphenols. The latter intermediates could also be cyclized to give 3-iodo-2-trifluoromethyl-substituted benzofurans.

  DOI：

  10.1080/00397910802431099

文献信息

• Novel Route to 2-Trifluoromethylated Benzofurans
  作者：Hua Zhou、Jia-Jia Niu、Jing-Wei Xu、Shao-Jing Hu

  DOI：10.1080/00397910802431099

  日期：2009.1.28

  A novel route for the synthesis of a variety of 2-trifluoromethylbenzofurans is reported. By selection of solvents, the key intermediates, 2-chloro-3,3,3-trifluoropropenyl phenyl acetates, were cyclized either to give 2-trifluoromethyl-substituted benzofurans or to yield trifluoromethyl modified o-alkynylphenols. The latter intermediates could also be cyclized to give 3-iodo-2-trifluoromethyl-substituted benzofurans.