5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl 3-oxobutanoate | 1313406-25-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl 3-oxobutanoate
• CAS: 1313406-25-5
• 化学式: C₁₆H₁₃F₁₇O₃
• 分子量: 576.25
• InChiKey: LVQOJZJDLZWSGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  76-79 °C
• 沸点：
  313.7±42.0 °C(predicted)
• 密度：
  1.491±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  36
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl 3-oxobutanoate 在 ammonium acetate 、 溴 作用下， 以 氯仿 、 溶剂黄146 、 乙腈 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]-triphenylphosphonium 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
• 作为产物：
  描述：

  全氟辛基碘烷 在 sodium dithionite 、 三正丁基氢锡 作用下， 以 对二甲苯 为溶剂， 反应 2.0h， 生成 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl 3-oxobutanoate
  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

文献信息

• Synthesis of 5-carboxy-6-methyl-3,4-dihydro-2(1H)-pyridone derivatives and their electrochemical oxidation to 2-pyridones
  作者：Rufus Smits、Baiba Turovska、Sergey Belyakov、Aiva Plotniece、Gunars Duburs

  DOI：10.1016/j.cplett.2016.02.045

  日期：2016.4

  series of variously substituted 5-carboxy-6-methyl-3,4-dihydro-2(1H)-pyridone derivatives were synthesized and their oxidation potentials determined by cyclic voltammetry. The resulting 2-pyridone structure and a tricyclic heterocycle which was formed during an attempted synthesis of 4-(2-hydroxyphenyl) substituted 3,4-dihydro-2(1H)-pyridone were confirmed by single crystal X-ray crystallography.

  摘要 合成了一系列不同取代的5-羧基-6-甲基-3,4-二氢-2(1H)-吡啶酮衍生物，并通过循环伏安法测定了它们的氧化电位。得到的 2-吡啶酮结构和在尝试合成 4-(2-羟基苯基) 取代的 3,4-二氢-2(1H)-吡啶酮的过程中形成的三环杂环通过单晶 X 射线晶体学证实。