N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl fluoride | 182684-88-4

• 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: N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl fluoride
• 英文别名: N-(pentafluorophenyl)pentafluorobenzimidoyl fluoride；N-(Pentafluorphenyl)(pentafluorphenyl)carbonimidoylchlorid；Perfluorobenzylideneaniline；2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenecarboximidoyl fluoride
• CAS: 182684-88-4
• 化学式: C₁₃F₁₁N
• 分子量: 379.132
• InChiKey: WQBUDKAIMCHYER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl fluoride 在 三氯化铝 作用下， 以 氯仿 为溶剂， 反应 10.0h， 以0.55 g的产率得到N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl chloride
  参考文献：
  名称：

  Reactions of pentafluoroaniline with aromatic trihalomethyl derivatives in the presence of AlCl3

  摘要：

  The reactions of pentafluoroaniline with aromatic CX(3)-derivatives (X = F, Cl) in the presence of AlCl3 were studied. It was shown that compounds with a CF3 group can be used 3 in reactions with polyfluoroaromatic amines instead of CCl3-derivatives for the synthesis of imidoyl chlorides. In the case of compounds with several CX(3) groups, the formation of the 3 imidoyl chloride moiety predominantly involves one of the CX(3) groups under the conditions studied. The introduction of a second CX(3) group can be carried out only under more drastic conditions.

  DOI：

  10.1007/bf01558072
• 作为产物：
  描述：

  N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl chloride 在 cesium fluoride 作用下， 生成 N-Pentafluorophenyl(C-pentafluorophenyl)imidoyl fluoride
  参考文献：
  名称：

  Savchenko,T.I. et al., Journal of Organic Chemistry USSR (English Translation), 1979, vol. 15, p. 915 - 919

  摘要：

  DOI：

文献信息

• Reactions of polyfluoroaromatic imidoyl chloride derivatives with S-nucleophilic reagents
  作者：T.D. Petrova、V.E. Platonov、L.N. Shchegoleva、A.M. Maksimov、A. Haas、M. Schelvis、M. Lieb

  DOI：10.1016/0022-1139(96)03465-3

  日期：1996.7

  N-pentafluorophenylcarbonimidoyl dichloride, N-pentafluorophenylbenzimidoyl chloride and N-pentafluorophenyl (C-pentafluorophenyl) imidoyl chloride with the S-nucleophilic reagents thiourea, sodiumN,N-diethyldithiocarbamate, thiocarbonyl difluoride and bis(trifluoromethyl)trithiocarbonate in the presence of CsF or AgSCF3, or thiophenol and polyfluorinated thiophenols in the presence of anhydrous K2CO3, were studied

  的相互作用Ñ -pentafluorophenylcarbonimidoyl二氯化物，Ñ -pentafluorophenylbenzimidoyl酰氯和Ñ -pentafluorophenyl（C-五氟苯基）亚氨酰氯与S-亲核试剂硫脲，钠盐N，N- -diethyldithiocarbamate，在存在硫代羰基二氟化物和双（三氟甲基）三硫代碳酸酯研究了在无水K 2 CO 3存在下的CsF或AgSCF 3，或苯硫酚和多氟化苯酚。在碱的存在下，与带电荷的S-亲核试剂和与S-亲核试剂的反应进行，从而在反应产物中保留了NC多重键。通过改变反应条件N-五氟苯基-汽车-亚氨基二氯可以取代一个或两个氯，得到一或二硫代亚氨酸酯。当C 6 ˚F 5或SC 6 ˚F 5个基团存在于该NC多重键的C原子，所述的优先的取代对位-氟原子发生。半经验PM3计算数据用于解释这些反应的方向。N-五氟苯基碳亚氨基二氯与N