1-(methylsulfonyl)propan-2-ol | 1977-38-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 1-(methylsulfonyl)propan-2-ol
• 英文别名: 2-Hydroxypropylmethylsulfone；1-Methylsulphonyl-2-propanol；1-methanesulfonyl-propan-2-ol；2-Propanol, 1-(methylsulfonyl)-；1-methylsulfonylpropan-2-ol
• CAS: 1977-38-4
• 化学式: C₄H₁₀O₃S
• mdl: MFCD01696728
• 分子量: 138.188
• InChiKey: KQKZDINYUFBARL-UHFFFAOYSA-N

物化性质

• 熔点：
  67-69 °C(Solv: toluene (108-88-3))
• 沸点：
  321.3±25.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(甲硫基)丙-2-醇 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 生成 1-(methylsulfonyl)propan-2-ol
  参考文献：
  名称：

  Numata,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 221 - 227

  摘要：

  DOI：

文献信息

• Numata,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 221 - 227
  作者：Numata,M. et al.

  DOI：——

  日期：——
• Synthesis of β-hydroxy sulfones via opening of hydrophilic epoxides with zinc sulfinates in aqueous media
  作者：Nataliya Chumachenko、Paul Sampson

  DOI：10.1016/j.tet.2006.02.043

  日期：2006.5

  Reaction of hydrophilic epoxides (ethylene oxide and propylene oxide) with readily accessible zinc sulfinates in aqueous solution under essentially neutral conditions afforded beta-hydroxy sulfones in good yields. This method avoids the need for organic solvents and produces ZnO as the only major reaction byproduct. 2-(Methylsulfonyl)ethanol, a common reagent for the protection of various functional groups, was obtained by this methodology from ethylene oxide in 78% yield. Reaction of various simple zinc alkane- and benzenesulfinates with propylene oxide proceeded regioselectively in 63-67% yield. The corresponding opening of these epoxides with zinc 1,3-butadiene-1-sulfinate afforded 1-butadienyl beta-hydroxyalkyl sulfones in 30% yield. Mechanistic studies revealed that the yields of these products were limited by their consumption in competing intra- and intermolecular Michael addition processes. (c) 2006 Elsevier Ltd. All rights reserved.
• Alcudia,F. et al., Canadian Journal of Chemistry, 1979, vol. 57, # 18, p. 2426 - 2433
  作者：Alcudia,F. et al.

  DOI：——

  日期：——