O,O-diethyl 1,1-difluoro-3-butoxyprop-2-enylphosphonothioate

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机硫代磷化合物
• 英文名称: O,O-diethyl 1,1-difluoro-3-butoxyprop-2-enylphosphonothioate
• 英文别名: [(E)-3-butoxy-1,1-difluoroprop-2-enyl]-diethoxy-sulfanylidene-lambda5-phosphane；[(E)-3-butoxy-1,1-difluoroprop-2-enyl]-diethoxy-sulfanylidene-λ5-phosphane
• 化学式: C₁₁H₂₁F₂O₃PS
• 分子量: 302.323
• InChiKey: URLBSDCXERDKFG-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  diethyl α,α-difluoromethyl-α-(phenylseleno)phosphonate 在 劳森试剂 、 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 甲苯 为溶剂， 反应 14.0h， 生成 O,O-diethyl 1,1-difluoro-3-butoxyprop-2-enylphosphonothioate
  参考文献：
  名称：

  Phosphonodifluoromethyl and Phosphonothiodifluoromethyl Radicals. Generation and Addition onto Alkenes and Alkynes

  摘要：

  Selanylated difluorornethylphosphonates and difluoromethylphosphonothioates are good precursors to phosphonodifluoromethyl and phosphonothiodifluoromethyl radicals, respectively. When generated in the presence of alkenes and a hydrogen donor, the corresponding alpha,alpha-difluorinated alkylphosphonates C, ID. or alkylphosphonothioates are produced in fair to good yields. The use of alkynes results in the formation of alpha,alpha-difluorinated allyl derivatives in useful yields. The presence of the sulfur atom in phosphono-thiodifluoromethyl radicals usually translates into higher isolated yields.

  DOI：

  10.1021/jo051511c

文献信息

• Phosphonodifluoromethyl and Phosphonothiodifluoromethyl Radicals. Generation and Addition onto Alkenes and Alkynes
  作者：Sébastien Pignard、Chrystel Lopin、Géraldine Gouhier、Serge R. Piettre

  DOI：10.1021/jo051511c

  日期：2006.1.1

  Selanylated difluorornethylphosphonates and difluoromethylphosphonothioates are good precursors to phosphonodifluoromethyl and phosphonothiodifluoromethyl radicals, respectively. When generated in the presence of alkenes and a hydrogen donor, the corresponding alpha,alpha-difluorinated alkylphosphonates C, ID. or alkylphosphonothioates are produced in fair to good yields. The use of alkynes results in the formation of alpha,alpha-difluorinated allyl derivatives in useful yields. The presence of the sulfur atom in phosphono-thiodifluoromethyl radicals usually translates into higher isolated yields.