1-[(2,6-Difluorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene | 151503-36-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[(2,6-Difluorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
• CAS: 151503-36-5
• 化学式: C₁₃H₅F₇O
• 分子量: 310.171
• InChiKey: HVFCUUZIZQZGDN-UHFFFAOYSA-N

物化性质

• 沸点：
  284.6±35.0 °C(Predicted)
• 密度：
  1.523±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-[(2,6-Difluorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene 在 三氯化铝 、 乙酰氯 作用下， 生成 2',6'-difluorophenyl acetate 、 2,3,4,5,6-五氟苄基氯
  参考文献：
  名称：

  Unusual reactivity of pentafluorobenzyl aromatic ethers under friedel-crafts reaction conditions

  摘要：

  A pentafluorobenzyl (PFBz) ether of 2,6-dimethylphenol undergoes a PFBz rearrangement, which appears to be intermolecular, yielding a 2:3 ratio of meta to para migration. Only ether bond cleavage takes place in a corresponding PFBz ether of 2,6-difluorophenol. Both sets of products are unusual, and it is suggested that they are both due to high reactivity of the PFBz-oxy moiety with the AlCl3 catalyst.

  DOI：

  10.1016/s0040-4039(00)79239-2
• 作为产物：
  描述：

  2,6-二氟苯酚 、 α-溴-2,3,4,5,6-五氟甲基苯酸酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以97%的产率得到1-[(2,6-Difluorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
  参考文献：
  名称：

  Unusual reactivity of pentafluorobenzyl aromatic ethers under friedel-crafts reaction conditions

  摘要：

  A pentafluorobenzyl (PFBz) ether of 2,6-dimethylphenol undergoes a PFBz rearrangement, which appears to be intermolecular, yielding a 2:3 ratio of meta to para migration. Only ether bond cleavage takes place in a corresponding PFBz ether of 2,6-difluorophenol. Both sets of products are unusual, and it is suggested that they are both due to high reactivity of the PFBz-oxy moiety with the AlCl3 catalyst.

  DOI：

  10.1016/s0040-4039(00)79239-2