3-(4-tert-butylphenylsulfonyl)-1H-indole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(4-tert-butylphenylsulfonyl)-1H-indole
• 英文别名: 3-(4-tert-butylphenyl)sulfonyl-1H-indole
• 化学式: C₁₈H₁₉NO₂S
• 分子量: 313.42
• InChiKey: IQFUSHJISPIFNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吲哚 、 对叔丁基苯磺酰氯 在 zinc(II) oxide 作用下， 以 neat (no solvent) 为溶剂， 反应 2.0h， 以96%的产率得到3-(4-tert-butylphenylsulfonyl)-1H-indole
  参考文献：
  名称：

  ZnO-mediated regioselective C-arylsulfonylation of indoles: a facile solvent-free synthesis of 2- and 3-sulfonylindoles and preliminary evaluation of their activity against drug-resistant mutant HIV-1 reverse transcriptases (RTs)

  摘要：

  A ZnO-mediated one-pot solvent-free protocol for the regioselective C-arylsulfonylation of indoles is described and some novel derivatives were tested on wild type and non-nucleoside inhibitor resistant K103N and Y181C HIV-1 reverse transcriptases (RTs). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.09.017

文献信息

• ZnO-mediated regioselective C-arylsulfonylation of indoles: a facile solvent-free synthesis of 2- and 3-sulfonylindoles and preliminary evaluation of their activity against drug-resistant mutant HIV-1 reverse transcriptases (RTs)
  作者：Graziella Tocco、Michela Begala、Francesca Esposito、Pierluigi Caboni、Valeria Cannas、Enzo Tramontano

  DOI：10.1016/j.tetlet.2013.09.017

  日期：2013.11

  A ZnO-mediated one-pot solvent-free protocol for the regioselective C-arylsulfonylation of indoles is described and some novel derivatives were tested on wild type and non-nucleoside inhibitor resistant K103N and Y181C HIV-1 reverse transcriptases (RTs). (C) 2013 Elsevier Ltd. All rights reserved.