pentafluorobenzyl 2,6-dimethylphenyl ether | 151503-30-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: pentafluorobenzyl 2,6-dimethylphenyl ether
• 英文别名: 2,6-Dimethylphenyl pentafluorobenzyl ether；1-[(2,6-dimethylphenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
• CAS: 151503-30-9
• 化学式: C₁₅H₁₁F₅O
• 分子量: 302.244
• InChiKey: USOFHERGPRUCBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 pentafluorobenzyl 2,6-dimethylphenyl ether 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 以41%的产率得到3',5'-dimethyl-4'-pentafluorobenzyloxyacetophenone
  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：

  2,6-二甲基苯酚 、 α-溴-2,3,4,5,6-五氟甲基苯酸酯 在 potassium carbonate 作用下， 以96%的产率得到pentafluorobenzyl 2,6-dimethylphenyl ether
  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

文献信息

• Release tag compounds producing ketone signal groups
  申请人：Northeastern University

  公开号：US05604104A1

  公开（公告）日：1997-02-18

  A release tag reagent suitable for use in the chemical analysis of a substance to be detected comprises signal, release, and reactivity groups. A class of release tag compounds that are cleaved to release as signal groups very stable electrophoric ketones which are sufficiently volatile for determination in the gas phase of an analytical reaction mixture is disclosed.

  适用于化学分析的释放标记试剂，包括信号、释放和反应基团。公开了一类释放标记化合物，它们被分解以释放出非常稳定的电子亲和性酮类信号基团，这些基团在分析反应混合物的气相中足够挥发以进行测定。
• US5516931A
  申请人：——

  公开号：US5516931A

  公开（公告）日：1996-05-14
• US5602273A
  申请人：——

  公开号：US5602273A

  公开（公告）日：1997-02-11
• US5610020A
  申请人：——

  公开号：US5610020A

  公开（公告）日：1997-03-11
• US5604104A
  申请人：——

  公开号：US5604104A

  公开（公告）日：1997-02-18