3-(methylthiomethyl)-1H-pyrrolo[2,3-b]pyridine | 1355345-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 3-(methylthiomethyl)-1H-pyrrolo[2,3-b]pyridine
• 英文别名: 3-(methylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine
• CAS: 1355345-36-6
• 化学式: C₉H₁₀N₂S
• 分子量: 178.258
• InChiKey: JHDJEODATWXCCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-氮杂吲哚 、 二甲基亚砜 在 溴化三(三苯基磷)铜 、 ammonium acetate 、 sodium methylate 作用下， 反应 12.0h， 以48%的产率得到3-(methylthiomethyl)-1H-pyrrolo[2,3-b]pyridine
  参考文献：
  名称：

  A novel NH4OAc and CuBr(PPh3)3-induced intermolecular Pummerer-type reaction between free (NH)-indoles and dimethylsulfoxide: facile synthesis of 3-methylthiomethyl substituted indoles

  摘要：

  A novel NH4OAc/CuBr(PPh3)(3)-induced intermolecular Pummerer-type reaction between free (NH)-indoles and dimethylsulfoxide is first reported, which offers the 3-methylthiomethyl substituted indoles conveniently and efficiently. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.002

文献信息

• A novel NH4OAc and CuBr(PPh3)3-induced intermolecular Pummerer-type reaction between free (NH)-indoles and dimethylsulfoxide: facile synthesis of 3-methylthiomethyl substituted indoles
  作者：Jin Liu、Xianxue Wang、Han Guo、Xiaokang Shi、Xiaoyu Ren、Guosheng Huang

  DOI：10.1016/j.tet.2011.12.002

  日期：2012.2

  A novel NH4OAc/CuBr(PPh3)(3)-induced intermolecular Pummerer-type reaction between free (NH)-indoles and dimethylsulfoxide is first reported, which offers the 3-methylthiomethyl substituted indoles conveniently and efficiently. (C) 2011 Elsevier Ltd. All rights reserved.