β-(Diisopropylamino)ethyl p-toluenethiosulfonate | 139131-30-9

• 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: β-(Diisopropylamino)ethyl p-toluenethiosulfonate
• 英文别名: Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester；N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-ylpropan-2-amine
• CAS: 139131-30-9
• 化学式: C₁₅H₂₅NO₂S₂
• 分子量: 315.501
• InChiKey: ORDGIHAKNCSFMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  β-(Diisopropylamino)ethyl p-toluenethiosulfonate 在 盐酸 作用下， 反应 48.0h， 以70%的产率得到β-(Diisopropylamino)ethyl p-toluenethiosulfonate hydrochloride
  参考文献：
  名称：

  .beta.-(N,N-Dialkylamino)ethyl arylthiosulfonates: new simulants for O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate

  摘要：

  Beta-(N,N-Dialkylamino)ethyl arylthiosulfonates 2, new simulants for the hydrolysis and oxidation chemistry of VX (1), are prepared in good yield by reaction of a potassium arylthiosulfonate with a 2-chloroethylamine. Alkaline hydrolysis of 2 results in cleavage of the S-S bond to give sulfinic acids and disulfides. Like VX, oxidation of 2 by N-sulfonyloxaziridine 12 occurs exclusively on nitrogen to give the corresponding amine oxide which subsequently undergoes a Cope elimination reaction affording the vinyl sulfide 14.

  DOI：

  10.1021/jo00035a013
• 作为产物：
  描述：

  二异丙氨基乙基氯盐酸盐 、 potassium thiotosylate 在 Adogen-464 、 potassium tert-butylate 作用下， 以 various solvent(s) 为溶剂， 反应 15.0h， 以86%的产率得到β-(Diisopropylamino)ethyl p-toluenethiosulfonate
  参考文献：
  名称：

  .beta.-(N,N-Dialkylamino)ethyl arylthiosulfonates: new simulants for O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate

  摘要：

  Beta-(N,N-Dialkylamino)ethyl arylthiosulfonates 2, new simulants for the hydrolysis and oxidation chemistry of VX (1), are prepared in good yield by reaction of a potassium arylthiosulfonate with a 2-chloroethylamine. Alkaline hydrolysis of 2 results in cleavage of the S-S bond to give sulfinic acids and disulfides. Like VX, oxidation of 2 by N-sulfonyloxaziridine 12 occurs exclusively on nitrogen to give the corresponding amine oxide which subsequently undergoes a Cope elimination reaction affording the vinyl sulfide 14.

  DOI：

  10.1021/jo00035a013

文献信息

• FOAMING DECONTAMINATING AQUEOUS SOLUTION
  申请人：Goffinet Pierre

  公开号：US20110071334A1

  公开（公告）日：2011-03-24

  The invention relates to a foaming decontaminating aqueous solution, characterized in that it comprises, by weight relative to the total weight of the composition: 0.1% to 20% of an organic or mineral water-soluble peroxidizing agent; 0.05% to 20% of an anionic surfactant; 0.1% to 20% of an amine oxide; 0 to 5% of a stabilizer for the peroxidizing agent; 0 to 10% of an amphoteric surfactant; 0 to 15% of an alkaline buffer; and the remainder to 100% being water; said organic or mineral water-soluble peroxidizing agent being chosen from: the organic peracids of general formula R′—CO 3 H in which R′ is a linear or branched alkyl group containing from 1 to 4 carbon atoms and preferably from 1 to 3 carbon atoms and alkali metal, alkaline-earth metal, ammonium or hydroxylamine salts thereof; the organic peracids of general formula HO 3 C—R′—CO 3 H in which R′ is a linear or branched alkyl group of 1 to 4 carbon atoms and preferably of 1 to 3 carbon atoms, and the alkali metal, alkaline-earth metal, ammonium or hydroxylamine salts thereof; the organic peracids of general formula R″-(Φ)(CO 3 H) n (CO 2 H) m in which R″ is a hydrogen or a linear or branched alkyl group of 1 to 4 carbon atoms, (Φ) is a benzene nucleus, n=1 or 2, m=0 or 1, and the alkali metal, alkaline-earth metal, ammonium or hydroxylamine salts thereof; the mineral peroxides chosen from H 2 O 2 adducts, persalts, mineral peracids and alkali metal salts thereof, mixtures of said peroxidizing agents; the pH of said aqueous solution being between 7 and 11. The invention can be used for dismantling explosive devices and decontaminating the toxic and/or bacteriological agents contained therein.
• .beta.-(N,N-Dialkylamino)ethyl arylthiosulfonates: new simulants for O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate
  作者：Franklin A. Davis、Jayanta K. Ray、Steve Kasperowicz、Robert M. Przeslawski、H. Dupont Durst

  DOI：10.1021/jo00035a013

  日期：1992.4

  Beta-(N,N-Dialkylamino)ethyl arylthiosulfonates 2, new simulants for the hydrolysis and oxidation chemistry of VX (1), are prepared in good yield by reaction of a potassium arylthiosulfonate with a 2-chloroethylamine. Alkaline hydrolysis of 2 results in cleavage of the S-S bond to give sulfinic acids and disulfides. Like VX, oxidation of 2 by N-sulfonyloxaziridine 12 occurs exclusively on nitrogen to give the corresponding amine oxide which subsequently undergoes a Cope elimination reaction affording the vinyl sulfide 14.