1-Bromo-11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentadecafluoroheptadecane | 200404-57-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1-Bromo-11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentadecafluoroheptadecane
• 英文别名: 17-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadecane
• CAS: 200404-57-5
• 化学式: C₁₇H₂₀BrF₁₅
• 分子量: 589.226
• InChiKey: HPEDPOODCVWJCV-UHFFFAOYSA-N

物化性质

• 沸点：
  344.7±10.0 °C(Predicted)
• 密度：
  1.457±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.27
• 重原子数：
  33.0
• 可旋转键数：
  15.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  4-羟基-4-甲氧基联二苯 、 1-Bromo-11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentadecafluoroheptadecane 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以67%的产率得到4-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-Pentadecafluoroheptadecyloxy)-4'-methoxybisphenyl
  参考文献：
  名称：

  Synthesis and Structural Studies of Polyphilic Mesogens with Central or Terminal Perfluoroalkyl Chains

  摘要：

  Benzyl 4-iodoperfluorobutanoate was synthesized by partial pyrolysis of perfluoroglutaryl chloride in the presence of potassium iodide followed by esterification. This compound gives access to mesogenic molecules with alkyl chain, perfluoroalkyl central bridge, and biphenyl moieties. Segregation of these chemical fragments depends on the molecular design. The molecule with a central alkyl chain forms smectic A layers (123-145 degrees C) with interdigitation of aliphatic and aromatic parts. In contrast, the smectic E phase is observed between 60 and 87 degrees C when the perfluoroalkyl chain is in the center of the molecule. In this case, X-ray diffraction data are consistent with the presence of three sublayers differing in their chemical nature.

  DOI：

  10.1021/jp972613c
• 作为产物：
  描述：

  十五氟碘庚烷 在 盐酸 、 偶氮二异丁腈 、 硫酸 、 氢溴酸 、 锌 作用下， 以 异辛烷 、 正庚烷 、 水 、 异丙醇 为溶剂， 反应 3.0h， 生成 1-Bromo-11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentadecafluoroheptadecane
  参考文献：
  名称：

  Synthesis and Structural Studies of Polyphilic Mesogens with Central or Terminal Perfluoroalkyl Chains

  摘要：

  Benzyl 4-iodoperfluorobutanoate was synthesized by partial pyrolysis of perfluoroglutaryl chloride in the presence of potassium iodide followed by esterification. This compound gives access to mesogenic molecules with alkyl chain, perfluoroalkyl central bridge, and biphenyl moieties. Segregation of these chemical fragments depends on the molecular design. The molecule with a central alkyl chain forms smectic A layers (123-145 degrees C) with interdigitation of aliphatic and aromatic parts. In contrast, the smectic E phase is observed between 60 and 87 degrees C when the perfluoroalkyl chain is in the center of the molecule. In this case, X-ray diffraction data are consistent with the presence of three sublayers differing in their chemical nature.

  DOI：

  10.1021/jp972613c