methyl 2-{(4-chlorophenyl)sulfanyl}-2,2-difluoroacetate | 22235-29-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: methyl 2-{(4-chlorophenyl)sulfanyl}-2,2-difluoroacetate
• 英文别名: Difluor-S-<4-chlor-phenyl>-thioglykolsaeure-methylester；Difluor-S-(4-chlor-phenyl)-thioglykolsaeure-methylester
• CAS: 22235-29-6
• 化学式: C₉H₇ClF₂O₂S
• 分子量: 252.669
• InChiKey: ULGURJKEBHFKSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 2-{(4-chlorophenyl)sulfanyl}-2,2-difluoroacetate 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 Difluor-<4-chlor-phenylsulfonyl>-essigsaeure-methylester
  参考文献：
  名称：

  Yagupol'skii,L.M.; Korin'ko,V.A., Journal of general chemistry of the USSR, 1969, vol. 39, p. 186 - 189

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基2-(4-氯苯基)巯基乙酸酯 在 IF₅-Et₃N-3HF 作用下， 以77%的产率得到methyl 2-{(4-chlorophenyl)sulfanyl}-2,2-difluoroacetate
  参考文献：
  名称：

  Polyfluoroalkylation of Carbonyl Compounds by Polyfluoroalkyl Anions Generated from Polyfluorcarboxamides

  摘要：

  Polyfluoroalkyl anions, generated by reduction of (polyfluoroalkanoyl)piperidines with Et3BHK, were used for the polyfluoroalkylation of carbonyl compounds. Trifluoromethylation of aromatic aldehydes proceeded in good yields, and that of aliphatic aldehydes afforded a moderate yield. In contrast, the yield was low when the reaction involved benzophenone. Pentafluoroethylation and octafluorobutylation of aldehydes were also carried out by using the corresponding (polyfluoroalkanoyl)piperidines, which were prepared from commercially available polyfluorocompounds. The (polyfluoroalkanoyDpiperidines were also prepared through polyfluorination, and were used in the polyfluoroalkylation of aldehydes.

  DOI：

  10.3987/com-13-s(s)84