1-三氟甲基-2,3,5,6-四氟-4-(1,1,1,3,3,3-六氟-2-丙基)苯 | 72873-61-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-三氟甲基-2,3,5,6-四氟-4-(1,1,1,3,3,3-六氟-2-丙基)苯
• 英文名称: 1-trifluoromethyl-2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoro-2-propyl)benzene
• 英文别名: 4-(2-Hydrohexafluorisopropyl)heptafluortoluol；1,2,4,5-Tetrafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(trifluoromethyl)benzene
• CAS: 72873-61-1
• 化学式: C₁₀HF₁₃
• 分子量: 368.097
• InChiKey: VCPHZBDYVGVMAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1-三氟甲基-2,3,5,6-四氟-4-(1,1,1,3,3,3-六氟-2-丙基)苯 在 铜 、 锌 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 4-甲基七氟甲苯
  参考文献：
  名称：

  Transformations of perfluoroxylenes and perfluoro-p-cymene under the action of Zn(Cu)-D-DMF-H2O.

  摘要：

  Perfluorinated xylenes and perfluoro-para-cymene undergo hydrodefluorination under the action of Zn(Cu)-DMF-H2O. Hydrogen enters mainly at the benzyl position of para-dialkylbenzenes and at the para position to perfluoroalkyl groups of perfluorinated ortho- and meta-xylenes. The process presumably involves radical anions as intermediates. A product of perfluoro-4-methylbenzyl radical trapping by hexene-1 was obtained Quantum-chemical calculations of radical anions of the compounds under investigation have been carried out. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01090-3
• 作为产物：
  描述：

  Bistrifluormethyl(4-heptafluortolyl)essigsaeure 以80%的产率得到
  参考文献：
  名称：

  VLASOV V. M.; AKSENOV V. V.; YAKOBSON G. G., ZH. ORGAN. XIMII, 1979, 15, HO 10, 2156-2168

  摘要：

  DOI：
• 作为试剂：
  描述：

  perfluoro-α,4-dimethylstyrene 在 1-三氟甲基-2,3,5,6-四氟-4-(1,1,1,3,3,3-六氟-2-丙基)苯 、 铜 、 锌 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 4-甲基七氟甲苯
  参考文献：
  名称：

  Transformations of perfluoroxylenes and perfluoro-p-cymene under the action of Zn(Cu)-D-DMF-H2O.

  摘要：

  Perfluorinated xylenes and perfluoro-para-cymene undergo hydrodefluorination under the action of Zn(Cu)-DMF-H2O. Hydrogen enters mainly at the benzyl position of para-dialkylbenzenes and at the para position to perfluoroalkyl groups of perfluorinated ortho- and meta-xylenes. The process presumably involves radical anions as intermediates. A product of perfluoro-4-methylbenzyl radical trapping by hexene-1 was obtained Quantum-chemical calculations of radical anions of the compounds under investigation have been carried out. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01090-3

文献信息

• Vlasov,V.M. et al., Journal of Organic Chemistry USSR (English Translation), 1979, vol. 15, p. 1953 - 1964
  作者：Vlasov,V.M. et al.

  DOI：——

  日期：——
• Hydrogenolysis of polyfluoroisopropylaromatic compounds
  作者：V.I. Krasnov、V.E. Platonov

  DOI：10.1016/s0022-1139(00)83649-0

  日期：1991.9
• Hydrogenolysis of heptafluoro- and hexafluoroisopropyl groups in polyfluoroaromatic compounds
  作者：V. I. Krasnov、V. E. Platonov

  DOI：10.1007/bf00960431

  日期：1991.9
• Transformations of perfluoroxylenes and perfluoro-p-cymene under the action of Zn(Cu)-D-DMF-H2O.
  作者：Vyacheslav I. Krasnov、Vyacheslv E. Platonov、Irina V. Beregovaya、Lyudmila N. Shohegoleva

  DOI：10.1016/s0040-4020(96)01090-3

  日期：1997.2

  Perfluorinated xylenes and perfluoro-para-cymene undergo hydrodefluorination under the action of Zn(Cu)-DMF-H2O. Hydrogen enters mainly at the benzyl position of para-dialkylbenzenes and at the para position to perfluoroalkyl groups of perfluorinated ortho- and meta-xylenes. The process presumably involves radical anions as intermediates. A product of perfluoro-4-methylbenzyl radical trapping by hexene-1 was obtained Quantum-chemical calculations of radical anions of the compounds under investigation have been carried out. (C) 1997, Elsevier Science Ltd.
• VLASOV V. M.; AKSENOV V. V.; YAKOBSON G. G., ZH. ORGAN. XIMII, 1979, 15, HO 10, 2156-2168
  作者：VLASOV V. M.、 AKSENOV V. V.、 YAKOBSON G. G.

  DOI：——

  日期：——