1-butyl-3-methylimidazolium p-toluenesulfinate | 1338239-09-0

• 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-butyl-3-methylimidazolium p-toluenesulfinate
• 英文别名: [bmim][p-TolSO2]；1-Butyl-3-methylimidazol-3-ium;4-methylbenzenesulfinate
• CAS: 1338239-09-0
• 化学式: C₇H₇O₂S*C₈H₁₅N₂
• 分子量: 294.418
• InChiKey: ZESBNEUVHLXBDS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴-1-(5-溴噻吩)-2-乙酮 、 1-butyl-3-methylimidazolium p-toluenesulfinate 反应 5.0h， 生成 1-(5-bromothiophen-2-yl)-2-tosylethanone
  参考文献：
  名称：

  1-Butyl-3-methylimidazolium p-toluenesulfinate: a novel reagent for synthesis of sulfones and β-ketosulfones in ionic liquid

  摘要：

  A novel task-specific ionic liquid, 1-butyl-3-methylimidazolium p-toluenesulfinate, [bmim][p-TolSO(2)] has been synthesized and used as a nucleophile for the reaction with alkyl bromides and phenacyl bromides to prepare sulfones and beta-ketosulfones in excellent yields (80-93%) in [bmim][BF4] ionic liquid. The isolated yields of sulfones and beta-ketosulfones were higher in [bmim][BF4] than other organic solvents at room temperature. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.035
• 作为产物：
  描述：

  1-丁基-3-甲基咪唑溴盐 、 sodium 4-methylbenzenesulfinate 以 丙酮 为溶剂， 反应 48.0h， 以92%的产率得到1-butyl-3-methylimidazolium p-toluenesulfinate
  参考文献：
  名称：

  1-Butyl-3-methylimidazolium p-toluenesulfinate: a novel reagent for synthesis of sulfones and β-ketosulfones in ionic liquid

  摘要：

  A novel task-specific ionic liquid, 1-butyl-3-methylimidazolium p-toluenesulfinate, [bmim][p-TolSO(2)] has been synthesized and used as a nucleophile for the reaction with alkyl bromides and phenacyl bromides to prepare sulfones and beta-ketosulfones in excellent yields (80-93%) in [bmim][BF4] ionic liquid. The isolated yields of sulfones and beta-ketosulfones were higher in [bmim][BF4] than other organic solvents at room temperature. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.035

文献信息

• 1-Butyl-3-methylimidazolium p-toluenesulfinate: a novel reagent for synthesis of sulfones and β-ketosulfones in ionic liquid
  作者：Anil Kumar、Manoj Kumar Muthyala

  DOI：10.1016/j.tetlet.2011.08.035

  日期：2011.10

  A novel task-specific ionic liquid, 1-butyl-3-methylimidazolium p-toluenesulfinate, [bmim][p-TolSO(2)] has been synthesized and used as a nucleophile for the reaction with alkyl bromides and phenacyl bromides to prepare sulfones and beta-ketosulfones in excellent yields (80-93%) in [bmim][BF4] ionic liquid. The isolated yields of sulfones and beta-ketosulfones were higher in [bmim][BF4] than other organic solvents at room temperature. (C) 2011 Elsevier Ltd. All rights reserved.