5,6,8-trifluoro-7-(hydrazino)-3-(1-(hydrazino)ethylidene)benzopyran-2,4-dione | 1137167-20-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5,6,8-trifluoro-7-(hydrazino)-3-(1-(hydrazino)ethylidene)benzopyran-2,4-dione
• CAS: 1137167-20-4
• 化学式: C₁₁H₉F₃N₄O₃
• 分子量: 302.213
• InChiKey: VHZCXPMOFSUYQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  119.47
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3-[1-aminoethylidene]-5,6,7,8-tetrafluorobenzopyran-2,4-dione 、 一水合肼 以 乙醚 为溶剂， 反应 24.0h， 以68%的产率得到5,6,8-trifluoro-7-(hydrazino)-3-(1-(hydrazino)ethylidene)benzopyran-2,4-dione
  参考文献：
  名称：

  Transformations of 3-(1-Aminoethylidene)-5,6,7,8-tetrafluorobenzopyran-2,4-dione with Hydrazines

  摘要：

  3-(1-Aminoethylidene)-5,6,7,8-tetrafluorobenzopyran-2,4-dione reacts with the substituted hydrazines depending on hydrazine nucleophilicity and the reaction conditions. 3-R-hydrazinoethylidene-5,6,7,8-tetrafluorobenzopyrandiones are formed as a result of the transamination at aminoethylidene fragment by hydrazine NH(2)-group. In the case of methylhydrazine and hydrazine the transamination can be accompanied by the substitution of fluorine atom at the atom C-7. Benzopyrano[2,3-c]pyrazolone derivatives are produced due to the intramolecular addition of the RNH-group at the C-2 atom followed by the intramolecular substitution of fluorine atom by hydroxyl group.

  DOI：

  10.3987/com-08-11495