N-[2-(4-aminophenylthio)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide | 1269423-50-8

• 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: N-[2-(4-aminophenylthio)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
• 英文别名: N-[2-(4-aminophenyl)sulfanyl-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
• CAS: 1269423-50-8
• 化学式: C₂₁H₂₁ClN₂O₂S₂
• 分子量: 432.995
• InChiKey: OVGVCMSSYALMPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  chloroamine-T 在 [Ag(COD)2](+)PF₆(-) 、 phenyltrimethylammonium tribromide 作用下， 以 1,1-二氯乙烷 、 乙腈 为溶剂， 反应 12.0h， 生成 N-[2-(4-aminophenylthio)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Ag(I)-Catalyzed Regioselective Ring-Opening ofN-Tosylaziridine andN-Tosylazetidine withS-,O-, andN-Nucleophiles and Tethered Dinucleophiles

  摘要：

  [Ag(COD)(2)]PF6 catalyzes the ring-opening of N-tosylaziridines and -azetidines with alcohols, amines, thiols, and related tethered 1,2-ethane dinucleophiles. Initial rate studies and DFT-based evaluation of stepwise energetics suggest an inverse relationship between the nucleophilic reactivity of a heteroatom donor and its binding affinity to cationic Ag(I).

  DOI：

  10.1021/jo102285z

文献信息

• Ag(I)-Catalyzed Regioselective Ring-Opening of<i>N</i>-Tosylaziridine and<i>N</i>-Tosylazetidine with<i>S</i>-,<i>O</i>-, and<i>N</i>-Nucleophiles and Tethered Dinucleophiles
  作者：Milan Bera、Sanjay Pratihar、Sujit Roy

  DOI：10.1021/jo102285z

  日期：2011.3.4

  [Ag(COD)(2)]PF6 catalyzes the ring-opening of N-tosylaziridines and -azetidines with alcohols, amines, thiols, and related tethered 1,2-ethane dinucleophiles. Initial rate studies and DFT-based evaluation of stepwise energetics suggest an inverse relationship between the nucleophilic reactivity of a heteroatom donor and its binding affinity to cationic Ag(I).