nonafluoro-1,1'-biphenyl-4-carbonitrile | 864970-02-5

• 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: nonafluoro-1,1'-biphenyl-4-carbonitrile
• 英文别名: nonafluorobiphenyl-4-carbonitrile；2,3,5,6,2',3',4',5',6'-Nonafluorobiphenyl-4-carbonitrile；2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
• CAS: 864970-02-5
• 化学式: C₁₃F₉N
• 分子量: 341.135
• InChiKey: SUSXERKTRIVMFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (全氟苯基)氯化锌(II) 、 五氟苯腈 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 以29%的产率得到nonafluoro-1,1'-biphenyl-4-carbonitrile
  参考文献：
  名称：

  Synthesis of perfluorinated biaryls by reaction of perfluoroarylzinc compounds with perfluoroarenes

  摘要：

  Symmetrical and unsymmetrical perfluorinated biaryls have been synthesized by reactions of perfluorinated benzonitrile, nitrobenzene, toluene, m-xylene, and pyridine with perfluoroarylzinc compounds derived from chloropentafluorobenzene, octafluorotoluene, and pentafluoropyridine. The described transformations may be regarded as nucleophilic aromatic substitution.

  DOI：

  10.1134/s107042801510005x

文献信息

• Formation of perfluorinated polyphenylenes by multiple pentafluorophenylation using C6F5Si(CH3)3
  作者：Masakazu Nishida、Yoshio Hayakawa、Taizo Ono

  DOI：10.1016/j.jfluchem.2010.09.001

  日期：2010.12

  Pentafluorophenylation of perfluoroarenes with C6F5Si(CH3)(3) was investigated by using NMR and MALDI-TOF-MS techniques. Successive multiple pentafluorophenylation easily occurred not only on the para-position but also on the ortho-positions to provide perfluorinated p-phenylene and m-phenylene compounds. The perfluoroarenes having electron-withdrawing substituents provided oligo- to poly-(phenylene)s depending on the added amounts of C6F5Si(CH3)(3), while the perfluoroarenes having electron-donor substituents gave H(C6F4)(n)F polymers produced from C6F5H, which was the decomposed product of C6F5Si(CH3)(3). (C) 2010 Elsevier B.V. All rights reserved.
• Synthesis of perfluorinated biaryls by reaction of perfluoroarylzinc compounds with perfluoroarenes
  作者：A. S. Vinogradov、V. E. Platonov

  DOI：10.1134/s107042801510005x

  日期：2015.10

  Symmetrical and unsymmetrical perfluorinated biaryls have been synthesized by reactions of perfluorinated benzonitrile, nitrobenzene, toluene, m-xylene, and pyridine with perfluoroarylzinc compounds derived from chloropentafluorobenzene, octafluorotoluene, and pentafluoropyridine. The described transformations may be regarded as nucleophilic aromatic substitution.