1-Methoxy-1-(phenylthio)-2-fluoro-3-methyl-1-pentene | 129265-04-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-Methoxy-1-(phenylthio)-2-fluoro-3-methyl-1-pentene
• 英文别名: (2-fluoro-1-methoxy-3-methylpent-1-enyl)sulfanylbenzene
• CAS: 129265-04-9
• 化学式: C₁₃H₁₇FOS
• 分子量: 240.342
• InChiKey: NFMRKHMHUNPPKE-UHFFFAOYSA-N

物化性质

• 沸点：
  298.0±40.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-Methoxy-1-(phenylthio)-2-fluoro-3-methyl-1-pentene 在 硫酸 作用下， 以80%的产率得到2-Fluoro-3-methylpentanoic acid
  参考文献：
  名称：

  Electrolytic reactions of fluoro organic compounds. 7. Anodic methoxylation and acetoxylation of 2,2,2-trifluoroethyl sulfides. Preparation of highly useful trifluoromethylated building blocks

  摘要：

  Anodic methoxylation and acetoxylation of 2,2,2-trifluoroethyl sulfides and the corresponding nonfluorinated sulfides were comparatively studied. It was found that a trifluoromethyl group remarkably promoted anodic substitution and methoxy and acetoxy groups were introduced adjacent to the trifluoromethyl group of the sulfides. Longer perfluoroalkyl groups also promoted these anodic substitutions. These products were shown to be highly useful building blocks for the synthesis of fluoro organic compounds.

  DOI：

  10.1021/jo00001a028
• 作为产物：
  描述：

  仲丁基锂 、 Phenyl 1-methoxy-2,2,2-trifluoroethyl sulfide 以 乙醚 、 正己烷 为溶剂， 以84%的产率得到1-Methoxy-1-(phenylthio)-2-fluoro-3-methyl-1-pentene
  参考文献：
  名称：

  Electrolytic reactions of fluoro organic compounds. 7. Anodic methoxylation and acetoxylation of 2,2,2-trifluoroethyl sulfides. Preparation of highly useful trifluoromethylated building blocks

  摘要：

  Anodic methoxylation and acetoxylation of 2,2,2-trifluoroethyl sulfides and the corresponding nonfluorinated sulfides were comparatively studied. It was found that a trifluoromethyl group remarkably promoted anodic substitution and methoxy and acetoxy groups were introduced adjacent to the trifluoromethyl group of the sulfides. Longer perfluoroalkyl groups also promoted these anodic substitutions. These products were shown to be highly useful building blocks for the synthesis of fluoro organic compounds.

  DOI：

  10.1021/jo00001a028