N-(2-hydroxyethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tride-cafluorooctane-1-ammonium tosylate | 1616596-38-3

• 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: N-(2-hydroxyethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tride-cafluorooctane-1-ammonium tosylate
• CAS: 1616596-38-3
• 化学式: C₇H₇O₃S*C₁₂H₁₅F₁₃NO
• 分子量: 607.433
• InChiKey: DMTIAEVTLTULKS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  77.43
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基膦酸 、 N-(2-hydroxyethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tride-cafluorooctane-1-ammonium tosylate 在 吡啶 、 2,4,6-三异丙基苯磺酰氯 、 水 作用下， 以 吡啶 为溶剂， 反应 3.0h， 以25%的产率得到2-[dimetyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)ammonio]ethyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-phosphonate
  参考文献：
  名称：

  Novel fluorinated dialkylphosphonatocholines: Synthesis, physicochemical properties and antiprotozoal activities against Acanthamoeba spp.

  摘要：

  The synthesis of four new organophosphorous gemini surfactants is presented. They belong to the class of dialkylphosphonatocholines. Tails are represented with two octyl groups both non or partially fluorinated. The synthesis was performed by reaction of alkylphosphonic acids with choline derivatives in the presence of 2,4,6-triisopropylbenzenesulfonyl chloride. The micellar, surface active, and solubilization properties of new surfactants were studied. Antiprotozoal activities were tested against Acanthamoeba lugdunensis and Acanthamoeba quina. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.04.008
• 作为产物：
  描述：

  3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛醇 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 N-(2-hydroxyethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tride-cafluorooctane-1-ammonium tosylate
  参考文献：
  名称：

  Novel fluorinated dialkylphosphonatocholines: Synthesis, physicochemical properties and antiprotozoal activities against Acanthamoeba spp.

  摘要：

  The synthesis of four new organophosphorous gemini surfactants is presented. They belong to the class of dialkylphosphonatocholines. Tails are represented with two octyl groups both non or partially fluorinated. The synthesis was performed by reaction of alkylphosphonic acids with choline derivatives in the presence of 2,4,6-triisopropylbenzenesulfonyl chloride. The micellar, surface active, and solubilization properties of new surfactants were studied. Antiprotozoal activities were tested against Acanthamoeba lugdunensis and Acanthamoeba quina. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.04.008