2-decyloxy-5-ethynyl-1,3-difluoro-benzene | 869627-97-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-decyloxy-5-ethynyl-1,3-difluoro-benzene
• 英文别名: 2-Decoxy-5-ethynyl-1,3-difluorobenzene；2-decoxy-5-ethynyl-1,3-difluorobenzene
• CAS: 869627-97-4
• 化学式: C₁₈H₂₄F₂O
• 分子量: 294.385
• InChiKey: VDPWCIIFLALBPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-decyloxy-1,3-difluoro-5-iodo-benzene 、 2-decyloxy-5-ethynyl-1,3-difluoro-benzene 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 反应 12.0h， 以99%的产率得到2-Decoxy-5-[2-(4-decoxy-3,5-difluorophenyl)ethynyl]-1,3-difluorobenzene
  参考文献：
  名称：

  A Fluorine-Substituted Hexakisdecyloxy- hexa-peri-hexabenzocoronene

  摘要：

  [GRAPHICS]The first fluorine-substituted hexabenzocoronene has been synthesized and is much more readily reduced than its nonfluorinated analogues. Thin films of this material show columnar order at room temperature, and the charge-carrier mobility measured by the pulse-radiolysis time-resolved microwave conductivity technique is comparable to that of other hexabenzocoronene materials.

  DOI：

  10.1021/ol051972k
• 作为产物：
  描述：

  2,6-二氟苯酚 在 bis-triphenylphosphine-palladium(II) chloride potassium iodate 、 copper(l) iodide 、 硫酸 、 碘 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 溶剂黄146 、 丙酮 为溶剂， 反应 96.0h， 生成 2-decyloxy-5-ethynyl-1,3-difluoro-benzene
  参考文献：
  名称：

  A Fluorine-Substituted Hexakisdecyloxy- hexa-peri-hexabenzocoronene

  摘要：

  [GRAPHICS]The first fluorine-substituted hexabenzocoronene has been synthesized and is much more readily reduced than its nonfluorinated analogues. Thin films of this material show columnar order at room temperature, and the charge-carrier mobility measured by the pulse-radiolysis time-resolved microwave conductivity technique is comparable to that of other hexabenzocoronene materials.

  DOI：

  10.1021/ol051972k

文献信息

• A Fluorine-Substituted Hexakisdecyloxy- hexa-<i>peri</i>-hexabenzocoronene
  作者：Qing Zhang、Paulette Prins、Simon C. Jones、Stephen Barlow、Takeshi Kondo、Zesheng An、Laurens D. A. Siebbeles、Seth R. Marder

  DOI：10.1021/ol051972k

  日期：2005.10.1

  [GRAPHICS]The first fluorine-substituted hexabenzocoronene has been synthesized and is much more readily reduced than its nonfluorinated analogues. Thin films of this material show columnar order at room temperature, and the charge-carrier mobility measured by the pulse-radiolysis time-resolved microwave conductivity technique is comparable to that of other hexabenzocoronene materials.