4,4,5,5,6,6,6-heptafluoro-1-[3-(trifluoromethyl)phenyl]-1-hydroxyhex-1-en-3-one sodium salt

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4,4,5,5,6,6,6-heptafluoro-1-[3-(trifluoromethyl)phenyl]-1-hydroxyhex-1-en-3-one sodium salt
• 英文别名: sodium;(Z)-4,4,5,5,6,6,6-heptafluoro-3-oxo-1-[3-(trifluoromethyl)phenyl]hex-1-en-1-olate
• 化学式: C₁₃H₅F₁₀O₂*Na
• 分子量: 406.155
• InChiKey: LCXXLYCUDHNKLJ-HGKIGUAWSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  庚氟丁酸乙酯 、 间三氟甲基苯乙酮 在 乙醇 、 sodium hydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 4,4,5,5,6,6,6-heptafluoro-1-[3-(trifluoromethyl)phenyl]-1-hydroxyhex-1-en-3-one sodium salt
  参考文献：
  名称：

  Polyfluoro 1,3-diketones as systemic insecticides

  摘要：

  A series of aryl polyfluoro 1,3-diketones were examined for systemic ectoparasiticidal activity in cattle. The compounds demonstrated efficacy against several economically important species of insects and acarina. At dosages of 5 mg/kg X1 or 0.35 mg/kg per day intraruminally, activity was observed against blowfly larvae (Phormia regina), adult stable fly (Stomoxys calcitrans), and lone star tick (Amblyomma americanum). In vivo activity was not directly related to in vitro activity, showing a stronger dependence on perfluoroalkyl-chain length and aryl-group substitution.

  DOI：

  10.1021/jm00129a021

文献信息

• Polyfluoro 1,3-diketones as systemic insecticides
  作者：G. D. Crouse、M. J. McGowan、R. J. Boisvenue

  DOI：10.1021/jm00129a021

  日期：1989.9

  A series of aryl polyfluoro 1,3-diketones were examined for systemic ectoparasiticidal activity in cattle. The compounds demonstrated efficacy against several economically important species of insects and acarina. At dosages of 5 mg/kg X1 or 0.35 mg/kg per day intraruminally, activity was observed against blowfly larvae (Phormia regina), adult stable fly (Stomoxys calcitrans), and lone star tick (Amblyomma americanum). In vivo activity was not directly related to in vitro activity, showing a stronger dependence on perfluoroalkyl-chain length and aryl-group substitution.