2,3,4,5-tetrafluoro-6-hydroxy-6-(1-methyl-1H-pyrrol-2-yl)-cyclohexa-2,4-dienone | 1353670-90-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,4,5-tetrafluoro-6-hydroxy-6-(1-methyl-1H-pyrrol-2-yl)-cyclohexa-2,4-dienone
• 英文别名: 2,3,4,5-Tetrafluoro-6-hydroxy-6-(1-methylpyrrol-2-yl)cyclohexa-2,4-dien-1-one
• CAS: 1353670-90-2
• 化学式: C₁₁H₇F₄NO₂
• 分子量: 261.176
• InChiKey: GMRJBDAKOAYEQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,3,4,5-四氟邻苯二酚 在 硝酸 作用下， 以 氘代氯仿 、 硝基甲烷 为溶剂， 反应 0.03h， 生成 2,3,4,5-tetrafluoro-6-hydroxy-6-(1-methyl-1H-pyrrol-2-yl)-cyclohexa-2,4-dienone
  参考文献：
  名称：

  The Multifaceted Reactivity of o-Fluoranil

  摘要：

  In addition to Diels-Alder and hetero-Diels-Alder reactions, tetrafluoro-o-benzoquinone (o-fluoranil) undergoes nucleophilic additions, addition-eliminations, dioxole formation, and charge-transfer complexation, reacting at every site on the molecular skeleton. It also effects dehydrogenations and other oxidations. The quinone can function as a (CF)(4) synthon.

  DOI：

  10.1021/jo202193c

文献信息

• The Multifaceted Reactivity of <i>o</i>-Fluoranil
  作者：Vivek Kumar、Sudharsanam Ramanathan、Dayong Sang、Xuanyi Chen、David M. Lemal

  DOI：10.1021/jo202193c

  日期：2012.1.20

  In addition to Diels-Alder and hetero-Diels-Alder reactions, tetrafluoro-o-benzoquinone (o-fluoranil) undergoes nucleophilic additions, addition-eliminations, dioxole formation, and charge-transfer complexation, reacting at every site on the molecular skeleton. It also effects dehydrogenations and other oxidations. The quinone can function as a (CF)(4) synthon.