2-chloro-2,2-difluoro-1-(4-(trifluoromethyl)phenyl)ethanone | 1321028-39-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-chloro-2,2-difluoro-1-(4-(trifluoromethyl)phenyl)ethanone
• 英文别名: 2-Chloro-2,2-difluoro-1-(4-(trifluoromethyl)phenyl)ethanone；2-chloro-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanone
• CAS: 1321028-39-0
• 化学式: C₉H₄ClF₅O
• 分子量: 258.575
• InChiKey: WBVGLTKPGOAODO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  对羟基联苯 、 2-chloro-2,2-difluoro-1-(4-(trifluoromethyl)phenyl)ethanone 在 potassium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 4.0h， 以67%的产率得到4-二氟甲氧基联苯
  参考文献：
  名称：

  Chlorodifluoromethyl aryl ketones and sulfones as difluorocarbene reagents: The substituent effect

  摘要：

  We have investigated the different chlorodifluoromethyl aryl ketones 1a-1g and sulfones 2a-2h as difluorocarbene reagents for O- and N-difluoromethylations. It was found that the sulfone reagents 2 were generally more efficient in difluoromethylation than the ketone reagents 1. Furthermore, while the different substituents on ketone reagents 1 did not show a remarkable impact on the difluoromethylation reaction, the substituent effect on the sulfone reagents 2 was much more significant. Finally, we found that p-chlorophenyl chlorodifluoromethyl sulfone 2d and p-nitrophenyl chlorodifluoromethyl sulfone 2h were among the most powerful difluorocarbene reagents in this category for O-difluoromethylations. (c) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.05.009

文献信息

• Chlorodifluoromethyl aryl ketones and sulfones as difluorocarbene reagents: The substituent effect
  作者：Fei Wang、Laijun Zhang、Ji Zheng、Jinbo Hu

  DOI：10.1016/j.jfluchem.2011.05.009

  日期：2011.8

  We have investigated the different chlorodifluoromethyl aryl ketones 1a-1g and sulfones 2a-2h as difluorocarbene reagents for O- and N-difluoromethylations. It was found that the sulfone reagents 2 were generally more efficient in difluoromethylation than the ketone reagents 1. Furthermore, while the different substituents on ketone reagents 1 did not show a remarkable impact on the difluoromethylation reaction, the substituent effect on the sulfone reagents 2 was much more significant. Finally, we found that p-chlorophenyl chlorodifluoromethyl sulfone 2d and p-nitrophenyl chlorodifluoromethyl sulfone 2h were among the most powerful difluorocarbene reagents in this category for O-difluoromethylations. (c) 2011 Elsevier B.V. All rights reserved.