Se-(2-ethoxyethyl)-p-toluenesulfonylselenylate | 1365173-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Se-(2-ethoxyethyl)-p-toluenesulfonylselenylate
• 英文别名: 1-(2-Ethoxyethylselanylsulfonyl)-4-methylbenzene
• CAS: 1365173-15-4
• 化学式: C₁₁H₁₆O₃SSe
• 分子量: 307.272
• InChiKey: MKMUYTHLOJCQHG-UHFFFAOYSA-N

物化性质

• 沸点：
  397.7±52.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲苯硫酚 在 二甲基二环氧乙烷 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.05h， 生成 Se-(2-ethoxyethyl)-p-toluenesulfonylselenylate
  参考文献：
  名称：

  Mechanism of a Redox Coupling of Seleninic Acid with Thiol

  摘要：

  Equimolar quantities of 2-ethoxyethaneseleninic acid and p-thiocresol react rapidly in dichloromethane solution to give the selenosulfide along with disulfide, diselenide, and two products oxidized at sulfur, the thiosulfonate and the selenosulfonate. The latter two are new for this sort of coupling; their formation may be the result of an early thioseleninate to selenosulfinate isomerization. A radical chain mechanism is proposed to account for all five products, as well as their relative amounts.

  DOI：

  10.1021/jo300156x

文献信息

• Mechanism of a Redox Coupling of Seleninic Acid with Thiol
  作者：Mohannad Abdo、Spencer Knapp

  DOI：10.1021/jo300156x

  日期：2012.4.6

  Equimolar quantities of 2-ethoxyethaneseleninic acid and p-thiocresol react rapidly in dichloromethane solution to give the selenosulfide along with disulfide, diselenide, and two products oxidized at sulfur, the thiosulfonate and the selenosulfonate. The latter two are new for this sort of coupling; their formation may be the result of an early thioseleninate to selenosulfinate isomerization. A radical chain mechanism is proposed to account for all five products, as well as their relative amounts.