4-Nitro-benzoic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester | 157103-03-2

• 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: 4-Nitro-benzoic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester
• CAS: 157103-03-2
• 化学式: C₁₅H₈F₁₃NO₄
• 分子量: 513.212
• InChiKey: CIUBXJXBCAXZJH-UHFFFAOYSA-N

物化性质

• 沸点：
  355.6±42.0 °C(predicted)
• 密度：
  1.575±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  69.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-Nitro-benzoic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester 在 palladium on activated charcoal sodium acetate 、 乙酸酐 、 一水合肼 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 13.5h， 生成
  参考文献：
  名称：

  Synthesis of graft copolymers of polyethylene: grafting of fluorinated model compound oligomers

  摘要：

  The condensation reaction of perfluorinated amines on to (succinic anhydride)-HDPE (high-density polyethylene) graft copolymer have been studied. Four different amine structures have been synthesized which have been analyzed by H-1 NMR spectroscopy GC-MS methods. Model structures of succinimide and succinamic acid have been synthesized with each amine and analyzed by FT-IR spectroscopy in order to determine the structure of the copolymer obtained. A scale of reactivity has been deduced as a function of the amine structure. Grafting levels of copolymer have been determined by elemental analysis of fluorine.

  DOI：

  10.1016/0022-1139(93)03043-l
• 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 、 4-硝基苯甲酰氯 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以80%的产率得到4-Nitro-benzoic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester
  参考文献：
  名称：

  Synthesis of graft copolymers of polyethylene: grafting of fluorinated model compound oligomers

  摘要：

  The condensation reaction of perfluorinated amines on to (succinic anhydride)-HDPE (high-density polyethylene) graft copolymer have been studied. Four different amine structures have been synthesized which have been analyzed by H-1 NMR spectroscopy GC-MS methods. Model structures of succinimide and succinamic acid have been synthesized with each amine and analyzed by FT-IR spectroscopy in order to determine the structure of the copolymer obtained. A scale of reactivity has been deduced as a function of the amine structure. Grafting levels of copolymer have been determined by elemental analysis of fluorine.

  DOI：

  10.1016/0022-1139(93)03043-l