2,2'-(丙烷-1,3-二基磺酰基)二乙醇 | 76305-83-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 亚砜
• 中文名称: 2,2'-(丙烷-1,3-二基磺酰基)二乙醇
• 英文名称: 1,3-bis(2-hydroxyethylsulfinyl)propane
• 英文别名: 2,2'-(Propane-1,3-diyldisulfinyl)diethanol；2-[3-(2-hydroxyethylsulfinyl)propylsulfinyl]ethanol
• CAS: 76305-83-4
• 化学式: C₇H₁₆O₄S₂
• 分子量: 228.334
• InChiKey: RTLNKGZGJSWXDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,7-二硫杂-1,9-壬二醇 在 sodium periodate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以55%的产率得到2,2'-(丙烷-1,3-二基磺酰基)二乙醇
  参考文献：
  名称：

  Hydrolysis and Oxidation Products of the Chemical Warfare Agents 1,2-Bis[(2-chloroethyl)thio]ethane Q and 2,2′-Bis(2-chloroethylthio)diethyl Ether T

  摘要：

  Syntheses of diols of structure [HOCH2CH2S](2)(CH2)(n) in 86-95% yield from the sodium salt of 2-mercaptoethanol and Br(CH2)(n)Br (n = 1 to 5) or in 60-90% yield from 2-chloroethanol and NaS(CH2)(n),SNa (n = 2 to 5) are described. The diol [HOCH2CH2SCH2CH2](2)O was prepared in 82% yield from the sodium salt of 2-mercaptoethanol and [ClCH2CH2](2)O, and in 88% yield from 2-chloroethanol and [HSCH2CH2](2)O. Mono- and bis-sulfoxides and bis-sulfones of these species were prepared in generally high yield by treatment with an equivalent of KIO4 in aqueous methanol, two equivalents of NaIO4 in aqueous methanol, or four equivalents of H2O2 in trifluoroacetic acid respectively. The compounds are important analytical standards for investigating the fate of the chemical warfare agents sesquimustard Q and oxygen mustard T in environmental samples.

  DOI：

  10.1080/10426500390228710

文献信息

• Hydrolysis and Oxidation Products of the Chemical Warfare Agents 1,2-Bis[(2-chloroethyl)thio]ethane Q and 2,2′-Bis(2-chloroethylthio)diethyl Ether T
  作者：Christopher M. Timperley、Robin M. Black、Michael Bird、Ian Holden、Joanna L. Mundy、Robert W. Read

  DOI：10.1080/10426500390228710

  日期：2003.9.1

  Syntheses of diols of structure [HOCH2CH2S](2)(CH2)(n) in 86-95% yield from the sodium salt of 2-mercaptoethanol and Br(CH2)(n)Br (n = 1 to 5) or in 60-90% yield from 2-chloroethanol and NaS(CH2)(n),SNa (n = 2 to 5) are described. The diol [HOCH2CH2SCH2CH2](2)O was prepared in 82% yield from the sodium salt of 2-mercaptoethanol and [ClCH2CH2](2)O, and in 88% yield from 2-chloroethanol and [HSCH2CH2](2)O. Mono- and bis-sulfoxides and bis-sulfones of these species were prepared in generally high yield by treatment with an equivalent of KIO4 in aqueous methanol, two equivalents of NaIO4 in aqueous methanol, or four equivalents of H2O2 in trifluoroacetic acid respectively. The compounds are important analytical standards for investigating the fate of the chemical warfare agents sesquimustard Q and oxygen mustard T in environmental samples.