2,5-Difluoro-6-hydroxy-3,4,6-trimethoxycyclohexa-2,4-dien-1-one | 1353670-97-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5-Difluoro-6-hydroxy-3,4,6-trimethoxycyclohexa-2,4-dien-1-one
• CAS: 1353670-97-9
• 化学式: C₉H₁₀F₂O₅
• 分子量: 236.172
• InChiKey: KSPMREDKOFCETH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,5-Difluoro-6-hydroxy-3,4,6-trimethoxycyclohexa-2,4-dien-1-one 、 丁炔二酸二甲酯 以 甲苯 为溶剂， 反应 33.0h， 生成 dimethyl (1S,4R)-1,4-difluoro-5,6-dimethoxy-7,8-dioxobicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
  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
• 作为产物：
  描述：

  甲醇 、 四氟邻苯醌 反应 13.0h， 以84%的产率得到2,5-Difluoro-6-hydroxy-3,4,6-trimethoxycyclohexa-2,4-dien-1-one
  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.