β-(Dimethylamino)ethyl p-toluenethiosulfonate | 139131-28-5

• 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-(Dimethylamino)ethyl p-toluenethiosulfonate
• 英文别名: toluene-4-thiosulfonic acid S-(2-dimethylaminoethyl) ester；Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester；N,N-dimethyl-2-(4-methylphenyl)sulfonylsulfanylethanamine
• CAS: 139131-28-5
• 化学式: C₁₁H₁₇NO₂S₂
• 分子量: 259.393
• InChiKey: YMXGBWGBEZHMMX-UHFFFAOYSA-N

物化性质

• 沸点：
  373.5±52.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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-(Dimethylamino)ethyl p-toluenethiosulfonate 在 盐酸 作用下， 反应 48.0h， 以75%的产率得到β-(Dimethylamino)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：

  二甲氨基氯乙烷盐酸 、 potassium thiotosylate 在 Adogen-464 、 potassium tert-butylate 作用下， 以 various solvent(s) 为溶剂， 反应 15.0h， 以75%的产率得到β-(Dimethylamino)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

• NOVEL MACROCYCLIC PEPTIDES
  申请人：Li Keqiang

  公开号：US20090312300A1

  公开（公告）日：2009-12-17

  Disclosed are cyclosporine derivatives in which the 3-Sarcosine carbon and 5-Valine nitrogen are each substituted by a non-hydrogen substituent, and their use as pharmaceuticals, in particular for the treatment of hepatitis C virus.

  本文披露了环孢霉素衍生物，其中3-肉碱碳和5-缬氨酸氮分别被非氢取代基取代，并且它们作为药物的用途，特别是用于治疗丙型肝炎病毒。
• CHIRAL CONTROL
  申请人：WAVE LIFE SCIENCES PTE. LTD.

  公开号：US20150211006A1

  公开（公告）日：2015-07-30

  The present invention relates to chirally controlled oligonucleotides, chirally controlled oligonucleotide compositions, and the method of making and using the same. The invention specifically encompasses the identification of the source of certain problems with prior methodologies for preparing chiral oligonucleotides, including problems that prohibit preparation of fully chirally controlled compositions, particularly compositions comprising a plurality of oligonucleotide types. In some embodiments, the present invention provides chirally controlled oligonucleotide compositions. In some embodiments, the present invention provides methods of making chirally controlled oligonucleotides and chirally controlled oligonucleotide compositions.

  本发明涉及手性控制的寡核苷酸、手性控制的寡核苷酸组合物以及其制备和使用方法。本发明特别涵盖了鉴定以前制备手性寡核苷酸方法中某些问题的来源，包括禁止制备完全手性控制的组合物，特别是包含多种寡核苷酸类型的组合物。在某些实施例中，本发明提供了手性控制的寡核苷酸组合物。在某些实施例中，本发明提供了制备手性控制的寡核苷酸和手性控制的寡核苷酸组合物的方法。
• 1,2‐Difunctionalization of Acetylene Enabled by Light
  作者：Shiwei Lü、Zipeng Wang、Xiang Gao、Kai Chen、Shifa Zhu

  DOI：10.1002/anie.202300268

  日期：——

  Reported is the regio- and stereoselective light-enabled installation of two distinct sulfides into acetylene. The resulting S-containing vinyl frameworks are important and versatile scaffolds that can be easily transformed into diverse functionalized molecules and chiral sulfoxide-containing bidentate ligands. Experimental and theoretical data on the mechanism are reported.

  报道的是将两种不同的硫化物通过区域和立体选择性光启用安装到乙炔中。由此产生的含硫乙烯基骨架是重要且多功能的支架，可以轻松转化为多种功能化分子和手性含亚砜的双齿配体。报告了有关该机制的实验和理论数据。
• Chiral control
  申请人：WAVE LIFE SCIENCES LTD.

  公开号：US10590413B2

  公开（公告）日：2020-03-17

  The present invention relates to chirally controlled oligonucleotides, chirally controlled oligonucleotide compositions, and the method of making and using the same. The invention specifically encompasses the identification of the source of certain problems with prior methodologies for preparing chiral oligonucleotides, including problems that prohibit preparation of fully chirally controlled compositions, particularly compositions comprising a plurality of oligonucleotide types. In some embodiments, the present invention provides chirally controlled oligonucleotide compositions. In some embodiments, the present invention provides methods of making chirally controlled oligonucleotides and chirally controlled oligonucleotide compositions.

  本发明涉及手性受控寡核苷酸、手性受控寡核苷酸组合物以及制作和使用方法。本发明具体包括确定先前制备手性寡核苷酸方法中某些问题的根源，包括禁止制备完全手性控制的组合物，特别是包含多种寡核苷酸类型的组合物的问题。在某些实施方案中，本发明提供了手性控制的寡核苷酸组合物。在一些实施方案中，本发明提供了制作手性控制寡核苷酸和手性控制寡核苷酸组合物的方法。
• Macrocycles
  申请人：Sentry Therapeutics Limited

  公开号：US10738084B2

  公开（公告）日：2020-08-11

  The invention relates to cyclic compounds of general formula (I): wherein R1, R2 and R3 are as defined in the specification, and their use as pharmaceuticals.

  本发明涉及通式（I）的环状化合物：其中 R1、R2 和 R3 如说明书中所定义，以及它们作为药物的用途。