β-Hydroxypropyl-β-hydroxy-γ-phenoxypropylsulfid | 42589-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: β-Hydroxypropyl-β-hydroxy-γ-phenoxypropylsulfid
• 英文别名: 1-(2-Hydroxypropylsulfanyl)-3-phenoxypropan-2-ol；1-(2-hydroxypropylsulfanyl)-3-phenoxypropan-2-ol
• CAS: 42589-17-3
• 化学式: C₁₂H₁₈O₃S
• 分子量: 242.339
• InChiKey: XIYHNOGTUHBLPL-UHFFFAOYSA-N

物化性质

• 沸点：
  425.5±35.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-[(2-羟基乙基)硫代]丙-2-醇 、 苯基缩水甘油醚 以 氯苯 为溶剂， 生成 环氧乙烷 、 β-Hydroxypropyl-β-hydroxy-γ-phenoxypropylsulfid
  参考文献：
  名称：

  Routes for reactions of alkylene oxides with R-β-hydroxyalkyl sulfides: Unusual exchange of functional groups

  摘要：

  Possible routes of the previously unknown exchange reaction of alkylene oxides with R-beta-hydroxyalkyl sulfides have been considered. Each route has intermediates and transition states of its own, but all the directions in the final stage lead to the formation of a single intermediate cyclic bipolar ion with intramolecular hydrogen bonding, which determines the common nature and composition of end products for all routes. The features of the reaction have been analyzed. The quantitative description of each route has been given.

  DOI：

  10.1134/s0965544112010069

文献信息

• Routes for reactions of alkylene oxides with R-β-hydroxyalkyl sulfides: Unusual exchange of functional groups
  作者：A. D. Malievskii

  DOI：10.1134/s0965544112010069

  日期：2012.5

  Possible routes of the previously unknown exchange reaction of alkylene oxides with R-beta-hydroxyalkyl sulfides have been considered. Each route has intermediates and transition states of its own, but all the directions in the final stage lead to the formation of a single intermediate cyclic bipolar ion with intramolecular hydrogen bonding, which determines the common nature and composition of end products for all routes. The features of the reaction have been analyzed. The quantitative description of each route has been given.