3-Trifluoromethyl-2,5,6-trichloro-nitrobenzene | 133391-74-9

• 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-Trifluoromethyl-2,5,6-trichloro-nitrobenzene
• 英文别名: 1,2,4-Trichloro-3-nitro-5-(trifluoromethyl)benzene
• CAS: 133391-74-9
• 化学式: C₇HCl₃F₃NO₂
• 分子量: 294.445
• InChiKey: BBLKODKFJBVTID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  二溴二氟甲烷 、 四氯硝基苯 在 异丁酰胺 、 铜 作用下， 反应 8.0h， 以11%的产率得到2-Trifluoromethyl-3,5,6-trichloro-nitrobenzene
  参考文献：
  名称：

  The trifluoromethylation of chloroaromatics using the copper-CF2Br2 - dialkylamide reaction system

  摘要：

  The in situ generation of CuCF3 from the reaction of copper, dibromodifluoromethane and either N,N-dimethylformamide or N,N-dimethylacetamide (Burton's reagent) has been used for the direct substitution of chlorine by CF3 in a number of aromatic substrates. Particular attention has been paid to the effects of ring substituents on the efficiency of reaction.

  DOI：

  10.1016/s0022-1139(00)85007-1

文献信息

• The trifluoromethylation of chloroaromatics using the copper-CF2Br2 - dialkylamide reaction system
  作者：James H Clark、James E Denness、Martin A McClinton、Andrew J Wynd

  DOI：10.1016/s0022-1139(00)85007-1

  日期：1990.12

  The in situ generation of CuCF3 from the reaction of copper, dibromodifluoromethane and either N,N-dimethylformamide or N,N-dimethylacetamide (Burton's reagent) has been used for the direct substitution of chlorine by CF3 in a number of aromatic substrates. Particular attention has been paid to the effects of ring substituents on the efficiency of reaction.