1-[3-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxycarbonyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyridin-2-ylmethyl]pyridinium bromide | 1313406-31-3

• 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: 1-[3-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxycarbonyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyridin-2-ylmethyl]pyridinium bromide
• 英文别名: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl 2-oxo-4-phenyl-6-(pyridin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyridine-5-carboxylate;bromide
• CAS: 1313406-31-3
• 化学式: Br*C₃₀H₂₄F₁₇N₂O₃
• 分子量: 863.409
• InChiKey: ZJUWNQMEBKDJQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.26
• 重原子数：
  53
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  全氟辛基碘烷 在 sodium dithionite 、 ammonium acetate 、 溴 、 三正丁基氢锡 作用下， 以 氯仿 、 对二甲苯 、 溶剂黄146 、 丙酮 为溶剂， 反应 2.5h， 生成 1-[3-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxycarbonyl)-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyridin-2-ylmethyl]pyridinium bromide
  参考文献：
  名称：

  Synthesis and self-assembly of novel fluorous cationic amphiphiles with a 3,4-dihydro-2(1H)-pyridone spacer

  摘要：

  The synthesis of fluorous (highly fluorinated) 3,4-dihydro-2(1H)-pyridone-5-carboxylate cationic amphiphiles have been described, where the dihydropyridone serves as a spacer and either a pyridinium bromide or a triphenylphosphonium bromide form the polar cationic head group. The in water self-assembled aggregates have been observed by atomic force microscopy (AFM) and dynamic light scattering (DLS). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.04.008