perfluoro(4-methylbiphenyl) | 5121-76-6

• 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: perfluoro(4-methylbiphenyl)
• 英文别名: Perfluor-4-methyl-biphenyl；2,2',3,3',4,5,5',6,6'-Nonafluoro-4'-(trifluoromethyl)-1,1'-biphenyl；1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene
• CAS: 5121-76-6
• 化学式: C₁₃F₁₂
• 分子量: 384.124
• InChiKey: FOAYNSKVUDOAME-UHFFFAOYSA-N

物化性质

• 沸点：
  219.1±35.0 °C(Predicted)
• 密度：
  1.698±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  12

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  perfluoro(4-methylbiphenyl) 在 硫酸 作用下， 生成 2,3,5,6-四氟-4-(2,3,4,5,6-五氟苯基)苯甲酸
  参考文献：
  名称：

  芳香多氟化合物-XXVIII：五氟苯基阴离子的进一步反应

  摘要：

  DOI：

  10.1016/0040-4020(66)80006-6
• 作为产物：
  描述：

  (全氟苯基)氯化锌(II) 、 八氟甲苯 以 N,N-二甲基甲酰胺 为溶剂， 反应 44.0h， 以31%的产率得到perfluoro(4-methylbiphenyl)
  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

• Reactions of polyfluoroaryl bromides and iodides with c−, si−, ge−, sn−, and pb-electrophiles and tris(dialkylamino)phospines [1]
  作者：V.V. Bardin、L.S. Pressman、L.N. Rogoza、G.G. Furin

  DOI：10.1016/s0022-1139(00)82342-8

  日期：1991.7

  The reactions of polyfluoroaryl bromides ArFBr or iodides ArFI with P(NR′2)3 and R3MX (R = alkyl; M = Si, Ge, Sn, and Pb; X = Cl, Br) led to the formation of ArFMR3. The reactions of C6F5Br with P(Net2)3 and C-electrophiles (CH3I, C6F5CF3 and (CF3)2C=CFC2F5) gave the products of pentafluorophenylation of these substrates.

  polyfluoroaryl的反应溴化物的Ar ˚F Br或碘化物的Ar ˚F我与P（NR' 2）3和R 3 MX（R =烷基; M =硅，锗，锡，和铅; X =氯，溴）导致了Ar F MR 3的形成。C 6 F 5 Br与P（Net 2）3和C-亲电试剂（CH 3 I，C 6 F 5 CF 3和（CF 3）2 C = CFC 2 F 5）的反应产生了五氟苯基化产物基材。
• Bardin, V. V.; Stennikova, I. V.; Furin, G. G., Journal of general chemistry of the USSR, 1988, vol. 58, # 4, p. 718 - 721
  作者：Bardin, V. V.、Stennikova, I. V.、Furin, G. G.

  DOI：——

  日期：——
• Trifluoromethylation of perfluoroaromatic compounds using trifluoromethyltrimethylsilane in the presence of fluoride ions
  作者：V. V. Bardin、A. A. Kolomeitsev、G. G. Furin、Yu. L. Yagupol'skii

  DOI：10.1007/bf00957892

  日期：1990.7
• 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.
• Shtark,A.A. et al., Journal of Organic Chemistry USSR (English Translation), 1977, vol. 13, p. 1544 - 1551
  作者：Shtark,A.A. et al.

  DOI：——

  日期：——