3-[1-aminoethylidene]-5,6,7,8-tetrafluorobenzopyran-2,4-dione | 1137167-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-[1-aminoethylidene]-5,6,7,8-tetrafluorobenzopyran-2,4-dione
• 英文别名: 3-(1-aminoethylidene)-5,6,7,8-tetrafluorochromene-2,4-dione
• CAS: 1137167-11-3
• 化学式: C₁₁H₅F₄NO₃
• 分子量: 275.159
• InChiKey: OWOYJHFODNWXNX-UHFFFAOYSA-N

物化性质

• 熔点：
  165 °C(Solvent: Hexane)
• 沸点：
  378.1±42.0 °C(predicted)
• 密度：
  1.655±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  69.39
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  5,6,7,8-tetrafluoro-3-[1-(2-phenylhydrazino)ethylidene]benzopyran-2,4-dione 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以80%的产率得到3-[1-aminoethylidene]-5,6,7,8-tetrafluorobenzopyran-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

文献信息

• Metal complexes based on functionalized 4-hydroxypolyfluorocoumarins
  作者：K. V. Shcherbakov、Ya. V. Burgart、V. I. Saloutin

  DOI：10.1134/s1070428014060104

  日期：2014.6

  4-Hydroxypolyfluorocoumarins containing an acetyl, 1-aminoethylidene, ethoxycarbonyl, or aminocarbonyl substituent on C-3 form coordination compounds with transition and rare earth metal cations. Some coumarin derivatives and their metal complexes show fluorescent properties.
• Transformations of 3-(1-Aminoethylidene)-5,6,7,8-tetrafluorobenzopyran-2,4-dione with Hydrazines
  作者：Victor I. Saloutin、Konstantin V. Shcherbakov、Yanina V. Burgart

  DOI：10.3987/com-08-11495

  日期：——

  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.