5-Methyl-5-phenylsulfanyl-hexane-1,4-diol | 163977-86-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-Methyl-5-phenylsulfanyl-hexane-1,4-diol
• CAS: 163977-86-4
• 化学式: C₁₃H₂₀O₂S
• 分子量: 240.367
• InChiKey: HGOQTPXQBBMIEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.69
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-Methyl-5-phenylsulfanyl-hexane-1,4-diol 在 吡啶 、 对甲苯磺酰氯 作用下， 生成 2-(2-Phenylsulfanylpropan-2-yl)oxolane
  参考文献：
  名称：

  Reactions of episulfonium ions from the sulfenylation of alkenes and from phenylthio migration: Kinetic vs thermodynamic control

  摘要：

  The formation of the same cyclic ethers from the sulfenylation of unsaturated alcohols and from acid catalysed phenylthio migration on diols via the same intermediate can be explained by kinetic and thermodynamic control. Both reactions are synthetically useful. A result from a previous Tetrahedron Letter is corrected.

  DOI：

  10.1016/0040-4039(95)00110-x
• 作为产物：
  描述：

  2-甲基-2-(苯基巯基)丙醛 、 3-(1-ethoxyethoxy)propyllithium 在 氢气 作用下， 以 水 为溶剂， 生成 5-Methyl-5-phenylsulfanyl-hexane-1,4-diol
  参考文献：
  名称：

  Reactions of episulfonium ions from the sulfenylation of alkenes and from phenylthio migration: Kinetic vs thermodynamic control

  摘要：

  The formation of the same cyclic ethers from the sulfenylation of unsaturated alcohols and from acid catalysed phenylthio migration on diols via the same intermediate can be explained by kinetic and thermodynamic control. Both reactions are synthetically useful. A result from a previous Tetrahedron Letter is corrected.

  DOI：

  10.1016/0040-4039(95)00110-x