phenyl trifluoromethanesulfinate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenyl trifluoromethanesulfinate
• 英文别名: Trifluoromethanesulfinic acid phenyl ester
• 化学式: C₇H₅F₃O₂S
• 分子量: 210.177
• InChiKey: RFOKHBOQQIHXIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  phenyl trifluoromethanesulfinate 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 以38%的产率得到4-(trifluoromethylsulfinyl)phenol
  参考文献：
  名称：

  Thia-Fries rearrangement of aryl triflinates to trifluoromethanesulfinylphenols

  摘要：

  Aryl trillinates are transformed to trifluoromethanesulfinylphenols in the presence of aluminum trichloride in dichloromethane at room temperature according to a thia-Fries rearrangement process. Rigorous exclusion of oxygen is necessary in order to avoid the formation of 2,2'-dihydroxybiaryls as secondary products. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(03)00106-4
• 作为产物：
  描述：

  三氟甲基亚硫酰氯 、 苯酚 以 乙酸乙酯 为溶剂， 生成 phenyl trifluoromethanesulfinate
  参考文献：
  名称：

  Thia-Fries rearrangement of aryl triflinates to trifluoromethanesulfinylphenols

  摘要：

  Aryl trillinates are transformed to trifluoromethanesulfinylphenols in the presence of aluminum trichloride in dichloromethane at room temperature according to a thia-Fries rearrangement process. Rigorous exclusion of oxygen is necessary in order to avoid the formation of 2,2'-dihydroxybiaryls as secondary products. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(03)00106-4

文献信息

• A new equivalent of the CF 3 S(O) + cation. Synthesis of trifluoromethanesulfinates and trifluoromethanesulfinamides
  作者：Thierry Billard、Alfred Greiner、Bernard R Langlois

  DOI：10.1016/s0040-4020(99)00364-6

  日期：1999.6

  The solution of sodium trifluoromethanesulfinate (sodium “triflinate”) and phosphoryl chloride (), in AcOEt, behaves like an equivalent of the CF3S(O)+ cation. It can be used in situ to prepare trifluoromethanesulfinates (CF3S(O)OR) or trifluoromethanesulfinamides (CF3S(O)NHR) at room temperature from alcohols or amines, respectively.

  三氟甲烷亚磺酸钠（“三氟甲磺酸钠”）和磷酰氯（）在AcOEt中的溶液的行为相当于CF 3 S（O）+阳离子的当量。它可以在室温下原位分别由醇或胺制备三氟甲亚磺酸盐（CF 3 S（O）OR）或三氟甲亚磺酰胺（CF 3 S（O）NHR）。
• Thia-Fries rearrangement of aryl triflinates to trifluoromethanesulfinylphenols
  作者：Ximin Chen、Marc Tordeux、Jean-Roger Desmurs、Claude Wakselman

  DOI：10.1016/s0022-1139(03)00106-4

  日期：2003.9

  Aryl trillinates are transformed to trifluoromethanesulfinylphenols in the presence of aluminum trichloride in dichloromethane at room temperature according to a thia-Fries rearrangement process. Rigorous exclusion of oxygen is necessary in order to avoid the formation of 2,2'-dihydroxybiaryls as secondary products. (C) 2003 Elsevier Science B.V. All rights reserved.