N-n-Butylpentafluoroaniline | 50311-45-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-n-Butylpentafluoroaniline
• 英文别名: N-butyl-2,3,4,5,6-pentafluoroaniline
• CAS: 50311-45-0
• 化学式: C₁₀H₁₀F₅N
• mdl: MFCD11115228
• 分子量: 239.188
• InChiKey: NJTSTOQWPJJSLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-n-Butylpentafluoroaniline 在 硝酸 作用下， 反应 0.58h， 以71%的产率得到N-Nitro-N-n-butylpentafluoroaniline
  参考文献：
  名称：

  Polyfluorinated arylnitramines

  摘要：

  N-methyl- and N-butylperfluoroarylamines are transformed by HNO3 into N-nitro-N-methyl- and N-nitro-N-butylperfluoroarylamines. These reactions were used to synthesise N-nitro-N-methylpentafluoroaniline and its p-CF3. -CN, -C6F5 substituted derivatives, N-nitro-N-methylperfluoro-2,4-xylidine, N-nitro-N-methyl-4-aminotetrafluoropyridine N-nitro-N-methyl 5-aminoperfluoroindane, N-nitro-N-methyl-2- aminoheptafluoronaphthalene. 4,4 ' -bis(N-nitro-N- merhylamino)octafluorobiphenyl from 4,4 ' -bis(N-methylamino)octafluorobiphenyl, N-nitro-N-n-butylpentafluoroaniline, N-nitro-N-n-butylperfluoro-p-toluidine, N-nitro-N-n-butyl-4-aminotetrafluoropyridine and N-nitro-bis( perfluoro-p-tolyl)amine. Tetrafluoro-p-benzoquinone and heptafluoro-p-toluquinol were obtained from N-methylpentafluoroanilinz and N-methylperfluoro-p-toluidine, respectively, under the action of a mixture of HNO3 and H2SO4 The X-ray crystal structure of N-nitro-N-methylperfluoro-p-toluidine was determined. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00367-0
• 作为产物：
  描述：

  六氟苯 、 正丁胺 以 异丙醇 为溶剂， 反应 504.0h， 以56%的产率得到N-n-Butylpentafluoroaniline
  参考文献：
  名称：

  Polyfluorinated arylnitramines

  摘要：

  N-methyl- and N-butylperfluoroarylamines are transformed by HNO3 into N-nitro-N-methyl- and N-nitro-N-butylperfluoroarylamines. These reactions were used to synthesise N-nitro-N-methylpentafluoroaniline and its p-CF3. -CN, -C6F5 substituted derivatives, N-nitro-N-methylperfluoro-2,4-xylidine, N-nitro-N-methyl-4-aminotetrafluoropyridine N-nitro-N-methyl 5-aminoperfluoroindane, N-nitro-N-methyl-2- aminoheptafluoronaphthalene. 4,4 ' -bis(N-nitro-N- merhylamino)octafluorobiphenyl from 4,4 ' -bis(N-methylamino)octafluorobiphenyl, N-nitro-N-n-butylpentafluoroaniline, N-nitro-N-n-butylperfluoro-p-toluidine, N-nitro-N-n-butyl-4-aminotetrafluoropyridine and N-nitro-bis( perfluoro-p-tolyl)amine. Tetrafluoro-p-benzoquinone and heptafluoro-p-toluquinol were obtained from N-methylpentafluoroanilinz and N-methylperfluoro-p-toluidine, respectively, under the action of a mixture of HNO3 and H2SO4 The X-ray crystal structure of N-nitro-N-methylperfluoro-p-toluidine was determined. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00367-0

文献信息

• Aluminum pentafluorophenyl–amide complexes
  作者：Carsten Cornelissen、Gigi Chan、Jason D Masuda、Douglas W Stephan

  DOI：10.1139/v07-003

  日期：2007.2.1

  The pentafluoroaryl amine (C₆F₅)₂NH (1) reacts with AlH₃·NEtMe₂ to give [(C₆F₅)₂N]AlH₂·NEtMe₂ (2) and [(C₆F₅)₂N]₂AlH·NEtMe₂ (3). The related fluorinated-aryl amine (C₆F₅)(n-C₄H₉)NH (4) also reacts with AlH₃·NEtMe₂ to give [(C₆F₅)(n-C₄H₉)N]₃Al·NEtMe₂ (5). This latter compound undergoes ligand exchange with PMe₃ or N-methylimidazole to form [(C₆F₅)(n-C₄H₉)N]₃Al·PMe₃ (6) and [(C₆F₅)(n-C₄H₉)N]₃Al·(Me-imid) (7), respectively. The latter amine also reacts with AlMe₃, affording [Me₂AlN(C₆F₅)(n-C₄H₉)]₂ (8).Key words: almunium, amides, pentafluorophenylamine.

  五氟芳基胺 (C6F5)2NH (1) 与 AlH3-NEtMe2 反应生成 [(C6F5)2N]AlH2-NEtMe2 (2) 和 [(C6F5)2N]2AlH-NEtMe2 (3)。相关的氟化芳基胺 (C6F5)(n-C4H9)NH (4) 也会与 AlH3-NEtMe2 反应，生成 [(C6F5)(n-C4H9)N]3Al-NEtMe2 (5)。后一种化合物与 PMe3 或 N-甲基咪唑发生配体交换，分别生成 [(C6F5)(n-C4H9)N]3Al-PMe3 (6) 和 [(C6F5)(n-C4H9)N]3Al-(Me-imid) (7)。后一种胺还能与 AlMe3 反应，生成 [Me2AlN(C6F5)(n-C4H9)]2 (8)。
• Fluorinated zwitterionic cocatalyst activators for olefin polymerization
  申请人：——

  公开号：US20040110631A1

  公开（公告）日：2004-06-10

  Zwitterionic compositions of matter comprising cations [Ct] + and anions connected together with substantially rigid fluorinated linking groups are described. These zwitterionic compositions serve as cocatalysts. They activate olefin polymerization catalysts, and can dissolve in aliphatic solvents. Synthesis and polymerization are illustrated.

  由阳离子[Ct&rsqb； &plus； 和阴离子，并用基本刚性的氟化连接基团连接在一起。这些齐聚物可用作催化剂。它们能激活烯烃聚合催化剂，并能溶解在脂肪族溶剂中。图解说明了合成和聚合过程。
• Polyfluorinated arylnitrosamines
  作者：Vyacheslav E. Platonov、Alois Haas、Meinolf Schelvis、Max Lieb、Kira V. Dvornikova、Olga I. Osina、Tatyana V. Rybalova、Yuri V. Gatilov

  DOI：10.1016/s0022-1139(01)00567-x

  日期：2002.3

  N-Methyl-, N-n-butyl-, N-t-butylperfluoroarylamines undergo nitrosation with nitrous acid to give the corresponding N-nitroso derivatives. Perfluoroaryl groups were selected from the benzene, indane, biphenyl, naphthalene and pyridine series. According to H-1 and F-19 NMR spectra, N-nitroso-N-methyl derivatives of polyfluoroarenes, consist of E and Z isomers with the former prevailing. The more bulky n-butyl group promotes an increase in the formation of Z isomers. Only Z isomers have been obtained from N-t-butyl derivatives of perfluorinated 4-toluidine and 4-aminopyridine. The structure of the Z isomer of N-nitroso-N-methylperfluoro-4-toluidine is confirmed by X-ray data. (C) 2002 Elsevier Science B.V. All rights reserved.
• FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：EP1349653A2

  公开（公告）日：2003-10-08
• US6919291B2
  申请人：——

  公开号：US6919291B2

  公开（公告）日：2005-07-19