3-hydroxy-4-(2,2-dichlorotrifluoroethylthio)phenol | 137380-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-hydroxy-4-(2,2-dichlorotrifluoroethylthio)phenol
• 英文别名: 4-(2,2-dichloro-1,1,2-trifluoroethyl)sulfanylbenzene-1,3-diol
• CAS: 137380-30-4
• 化学式: C₈H₅Cl₂F₃O₂S
• 分子量: 293.094
• InChiKey: YYJGPQVQVVZOPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  dichlorotrifluoroethane sulphenic acid chloride 、 间苯二酚 以 乙醚 为溶剂， 反应 10.0h， 以83.2%的产率得到3-hydroxy-4-(2,2-dichlorotrifluoroethylthio)phenol
  参考文献：
  名称：

  Reactions of polyfluoroalkylsulfenyl chlorides with phenols

  摘要：

  Polyfluoroalkylsulfenyl chlorides thiolate phenol and its ortho- and meta-substituted derivatives regiospecifically at the para-position in the absence of a catalyst and of a hydrogen chloride acceptor. Ortho thiolation occurs with significantly greater difficulty in the para-substituted phenols, and is only possible with the strong electron-donor properties of the substituent. Polyfluoroalkylthiolation of phenols is rendered more difficult with the increase in the steric impediments at the sulfur atom of the sulfenyl chloride and the volume of the substituents by the OH group of the phenol.

  DOI：

  10.1007/bf00961248

文献信息

• SIZOV, A. YU.;KOLOMIETS, A. F.;FOKIN, A. V., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1619-1625
  作者：SIZOV, A. YU.、KOLOMIETS, A. F.、FOKIN, A. V.

  DOI：——

  日期：——
• US5468472A
  申请人：——

  公开号：US5468472A

  公开（公告）日：1995-11-21
• Reactions of polyfluoroalkylsulfenyl chlorides with phenols
  作者：A. Yu. Sizov、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00961248

  日期：1991.7

  Polyfluoroalkylsulfenyl chlorides thiolate phenol and its ortho- and meta-substituted derivatives regiospecifically at the para-position in the absence of a catalyst and of a hydrogen chloride acceptor. Ortho thiolation occurs with significantly greater difficulty in the para-substituted phenols, and is only possible with the strong electron-donor properties of the substituent. Polyfluoroalkylthiolation of phenols is rendered more difficult with the increase in the steric impediments at the sulfur atom of the sulfenyl chloride and the volume of the substituents by the OH group of the phenol.