methyl 2-(2,4,6-trimethoxyphenylthio)benzoate | 1242674-03-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: methyl 2-(2,4,6-trimethoxyphenylthio)benzoate
• 英文别名: Methyl 2-(2,4,6-trimethoxyphenyl)sulfanylbenzoate
• CAS: 1242674-03-8
• 化学式: C₁₇H₁₈O₅S
• 分子量: 334.393
• InChiKey: XBRQZVSGRATEOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3,5-三甲氧基苯 、 2,2’-二硫二苯甲酸二甲酯 在 copper(l) iodide 、 氧气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以40%的产率得到methyl 2-(2,4,6-trimethoxyphenylthio)benzoate
  参考文献：
  名称：

  Copper-Catalyzed Thiolation of the Di- or Trimethoxybenzene Arene C−H Bond with Disulfides

  摘要：

  A CuI-catalyzed direct access to sulfides from disulfides via C-H bond cleavage of di- or trimethoxybenzene is described. The procedure utilizes O-2 as a clean and cheap oxidant. Direct selenation of the C-H bond also took place under this procedure. Furthermore, the system enables the use of two RS in (RS)(2). Thus, it represents an atom-economical procedure for the synthesis of sulfides and selenides.

  DOI：

  10.1021/jo1014849

文献信息

• Copper-Catalyzed Thiolation of the Di- or Trimethoxybenzene Arene C−H Bond with Disulfides
  作者：Shouhui Zhang、Pengcheng Qian、Manli Zhang、Maolin Hu、Jiang Cheng

  DOI：10.1021/jo1014849

  日期：2010.10.1

  A CuI-catalyzed direct access to sulfides from disulfides via C-H bond cleavage of di- or trimethoxybenzene is described. The procedure utilizes O-2 as a clean and cheap oxidant. Direct selenation of the C-H bond also took place under this procedure. Furthermore, the system enables the use of two RS in (RS)(2). Thus, it represents an atom-economical procedure for the synthesis of sulfides and selenides.