[1,1,2,2-tetrafluoro-2-(1H-imidazol-1-yl)ethylsulfinyl]benzene | 1222830-56-9

• 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: [1,1,2,2-tetrafluoro-2-(1H-imidazol-1-yl)ethylsulfinyl]benzene
• 英文别名: 1-[2-(Benzenesulfinyl)-1,1,2,2-tetrafluoroethyl]imidazole
• CAS: 1222830-56-9
• 化学式: C₁₁H₈F₄N₂OS
• 分子量: 292.257
• InChiKey: WYVVPFUXUNIDFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  54.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  sodium 2-(imidazolyl-1-yl)tetrafluoroethanesulfinate 、 苯 在 三氟甲磺酸 、 三氟甲磺酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 41.0h， 以60%的产率得到[1,1,2,2-tetrafluoro-2-(1H-imidazol-1-yl)ethylsulfinyl]benzene
  参考文献：
  名称：

  One-pot synthesis of arylfluoroalkylsulfoxides and study of their anomalous 19F NMR behavior

  摘要：

  Arylfluoroalkylsulfoxides were successfully synthesized in one-pot when fluoroalkylsulfinate reacted with benzene and triffic anhydride in triflic acid and dichloromethane as the medium. The characteristics of their F-19 NMR spectra were examined and analyzed for these structures. Electronic and steric effects of substituents at alpha- or beta-position were revealed to be the main cause of the anomalous behavior of their chemical shifts and coupling constants. Interactions between arylfluoroalkylsulfoxides and solvents were also investigated and discussed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2009.12.019

文献信息

• One-pot synthesis of arylfluoroalkylsulfoxides and study of their anomalous 19F NMR behavior
  作者：Cheng-Pan Zhang、Zong-Ling Wang、Qing-Yun Chen、Chun-Tao Zhang、Ji-Chang Xiao

  DOI：10.1016/j.jfluchem.2009.12.019

  日期：2010.3

  Arylfluoroalkylsulfoxides were successfully synthesized in one-pot when fluoroalkylsulfinate reacted with benzene and triffic anhydride in triflic acid and dichloromethane as the medium. The characteristics of their F-19 NMR spectra were examined and analyzed for these structures. Electronic and steric effects of substituents at alpha- or beta-position were revealed to be the main cause of the anomalous behavior of their chemical shifts and coupling constants. Interactions between arylfluoroalkylsulfoxides and solvents were also investigated and discussed. (C) 2009 Elsevier B.V. All rights reserved.