1-(2-trifluoromethylphenyl)hexan-3-one

• 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: 1-(2-trifluoromethylphenyl)hexan-3-one
• 英文别名: 1-[2-(Trifluoromethyl)phenyl]hexan-3-one
• 化学式: C₁₃H₁₅F₃O
• 分子量: 244.257
• InChiKey: SJMFOMZHTGADFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-己烯-3-醇 、 邻溴三氟甲苯 在 bis(η3-allyl-μ-chloropalladium(II)) 、 Tedicyp potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以90%的产率得到1-(2-trifluoromethylphenyl)hexan-3-one
  参考文献：
  名称：

  Heck reactions of aryl bromides with alk-1-en-3-ol derivatives catalysed by a tetraphosphine/palladium complex

  摘要：

  cis,cis,cis-1,2,3,4-Tetrikis(diplienylphosphinomethyl)cyclopentane/[PdCl(C3H5)](2) efficiently catalyses the Heck reaction of alk-1-en-3-ol with a variety of aryl bromides. In the presence of hex-1-en-3-ol or oct-1-en-3-ol, the beta-arylated carbonyl compounds were selectively obtained. Linalool and 2-methylbut-3-en-2-ol led to the corresponding 1-arylalk-1-en-3-ol derivatives. Turnover numbers up to 69,000 can be obtained for this reaction. A minor electronic effect of the substituents of the aryl bromide was observed. Similar reaction rates were observed in the presence of activated aryl bromides Such as bromoacetophenone and deactivated aryl bromides such as bromoanisole. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.117