2-[2-Methylsulfanyl-5-(trifluoromethyl)phenyl]pyridine | 1219699-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[2-Methylsulfanyl-5-(trifluoromethyl)phenyl]pyridine
• 英文别名: 2-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]pyridine
• CAS: 1219699-56-5
• 化学式: C₁₃H₁₀F₃NS
• 分子量: 269.29
• InChiKey: DDRWRFGVDNJFKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  二甲基亚砜 、 2-(3-trifluoromethylphenyl)pyridine 在 copper (II)-fluoride 、 dipotassium peroxodisulfate 作用下， 反应 72.0h， 以54%的产率得到2-[2-Methylsulfanyl-5-(trifluoromethyl)phenyl]pyridine
  参考文献：
  名称：

  Cu(II)-Mediated Methylthiolation of Aryl C−H Bonds with DMSO

  摘要：

  An unprecedented Cu(II)-mediated methylthiolation of aryl C-H bonds under oxidative conditions that employs the widely available DMSO as the methylthiolation reagent is described. Various functional groups in the substrates were tolerated, and ethylthiolation was also successfully achieved directly from diethyl sulfoxide under the same reaction conditions.

  DOI：

  10.1021/ol100449c

文献信息

• Cu(II)-Mediated Methylthiolation of Aryl C−H Bonds with DMSO
  作者：Lingling Chu、Xuyi Yue、Feng-Ling Qing

  DOI：10.1021/ol100449c

  日期：2010.4.2

  An unprecedented Cu(II)-mediated methylthiolation of aryl C-H bonds under oxidative conditions that employs the widely available DMSO as the methylthiolation reagent is described. Various functional groups in the substrates were tolerated, and ethylthiolation was also successfully achieved directly from diethyl sulfoxide under the same reaction conditions.