3,3-difluoro-1-phenyl-2-trifluoromethylcyclopropene

• 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: 3,3-difluoro-1-phenyl-2-trifluoromethylcyclopropene
• 英文别名: [3,3-Difluoro-2-(trifluoromethyl)cyclopropen-1-yl]benzene
• 化学式: C₁₀H₅F₅
• 分子量: 220.142
• InChiKey: DAPAMUJQHVGAKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (碘乙炔基)苯 在 copper(l) iodide 、 sodium fluoride 作用下， 以 二乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 3,3-difluoro-1-phenyl-2-trifluoromethylcyclopropene
  参考文献：
  名称：

  3,3-Difluoro-1-iodocyclopropenes:  A Simple Synthesis and Their Reactions

  摘要：

  The [1 + 2] cycloaddition reaction of 1-iodoalkynes with difluorocarbene, generated from the decomposition of FSO2CF2COOSiMe3 in diglyme in the presence of 10 mol % NaF at 120 degreesC, gives 3, 3-difluoro-1-iodocyclopropenes in good yields. These new iodides can be trifluoromethylated and functionalized via the Heck reaction. The unusual hydrolytic reactions of the iodides under acidic conditions was also investigated.

  DOI：

  10.1021/jo020431v

文献信息

• 3,3-Difluoro-1-iodocyclopropenes:  A Simple Synthesis and Their Reactions
  作者：Wei Xu、Qing-Yun Chen

  DOI：10.1021/jo020431v

  日期：2002.12.1

  The [1 + 2] cycloaddition reaction of 1-iodoalkynes with difluorocarbene, generated from the decomposition of FSO2CF2COOSiMe3 in diglyme in the presence of 10 mol % NaF at 120 degreesC, gives 3, 3-difluoro-1-iodocyclopropenes in good yields. These new iodides can be trifluoromethylated and functionalized via the Heck reaction. The unusual hydrolytic reactions of the iodides under acidic conditions was also investigated.