Benzene, chloro(dichlorofluoromethyl)- | 1258790-97-4

• 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: Benzene, chloro(dichlorofluoromethyl)-
• 英文别名: 1-chloro-2-[dichloro(fluoro)methyl]benzene
• CAS: 1258790-97-4
• 化学式: C₇H₄Cl₃F
• 分子量: 213.466
• InChiKey: BPLLTHRIMHROHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-氯三氯甲苯 在 HF/tributyl phosphate 作用下， 50.0 ℃ 、1.0 MPa 条件下， 反应 1.0h， 生成 Benzene, chloro(dichlorofluoromethyl)-
  参考文献：
  名称：

  Selective fluorination of substituted trichloromethyl benzenes by HF in liquid phase: Preparation of fluorinated building blocks

  摘要：

  The selective fluorination by successive Cl/F exchanges of alpha alpha alpha-trichlorotoluene substituted or not by a chlorine atom was studied in the presence of HF as the fluorin long agent The influence of the presence of a catalyst or a basic solvent (such as dioxane pyridine tributylphosphate) in order to control the fluorination was also investigated In mild conditions (50 C and after 1 h of reaction) HF in excess was required in order to obtained the trifluoromethylation by Cl/F exchanges The presence of SbCl5 in small amount activated the Cl/F exchanges and only a stoichiometric amount of HF was required whatever the chlorinated molecules Selective mono and difluorination could be obtained by using basic solvents (C) 2010 Elsevier B V All rights reserved

  DOI：

  10.1016/j.jfluchem.2010.06.013

文献信息

• Selective fluorination of substituted trichloromethyl benzenes by HF in liquid phase: Preparation of fluorinated building blocks
  作者：Alexandre Piou、Stephane Celerier、Sylvette Brunet

  DOI：10.1016/j.jfluchem.2010.06.013

  日期：2010.11

  The selective fluorination by successive Cl/F exchanges of alpha alpha alpha-trichlorotoluene substituted or not by a chlorine atom was studied in the presence of HF as the fluorin long agent The influence of the presence of a catalyst or a basic solvent (such as dioxane pyridine tributylphosphate) in order to control the fluorination was also investigated In mild conditions (50 C and after 1 h of reaction) HF in excess was required in order to obtained the trifluoromethylation by Cl/F exchanges The presence of SbCl5 in small amount activated the Cl/F exchanges and only a stoichiometric amount of HF was required whatever the chlorinated molecules Selective mono and difluorination could be obtained by using basic solvents (C) 2010 Elsevier B V All rights reserved