3-Amino-6-fluoro-4,5-bis-trifluoromethyl-phthalonitrile | 757202-10-1

• 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: 3-Amino-6-fluoro-4,5-bis-trifluoromethyl-phthalonitrile
• 英文别名: 1,2-Benzenedicarbonitrile, 3-amino-6-fluoro-4,5-bis(trifluoromethyl)-；3-amino-6-fluoro-4,5-bis(trifluoromethyl)benzene-1,2-dicarbonitrile
• CAS: 757202-10-1
• 化学式: C₁₀H₂F₇N₃
• 分子量: 297.135
• InChiKey: GGFLQKFUAHQMLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3,4,5,6-四氟邻苯二腈 、 (三氟甲基)三甲基硅烷 在 N-甲基吡咯烷酮 、 potassium fluoride 、 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以53%的产率得到4-amino-3,5,6-trifluoro-1,2-phenylene dicyanide
  参考文献：
  名称：

  Introduction of several trifluoromethyl groups onto the activated aromatic materials with CF3TMS–CuI–KF system

  摘要：

  Trifluoromethylation onto the tetrafluorophthalonitrile and tetrafluoroisophthalonitrile has been carried out using CF3TMS-CuI-KF system, and it was demonstrated that these trifluoromethylation enabled us to successfully construct di- and/or tri-trifluoromethylated benzonitriles via the decyanotrifluoromethylation. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.04.014

文献信息

• Introduction of several trifluoromethyl groups onto the activated aromatic materials with CF3TMS–CuI–KF system
  作者：Tomoya Kitazume、Satoshi Nakajima

  DOI：10.1016/j.jfluchem.2004.04.014

  日期：2004.10

  Trifluoromethylation onto the tetrafluorophthalonitrile and tetrafluoroisophthalonitrile has been carried out using CF3TMS-CuI-KF system, and it was demonstrated that these trifluoromethylation enabled us to successfully construct di- and/or tri-trifluoromethylated benzonitriles via the decyanotrifluoromethylation. (C) 2004 Elsevier B.V. All rights reserved.