2,3,5,6-Tetrafluoro-4-(4-formylphenyloxy)benzaldehyde | 1403621-17-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3,5,6-Tetrafluoro-4-(4-formylphenyloxy)benzaldehyde
• 英文别名: 2,3,5,6-Tetrafluoro-4-(4-formylphenoxy)benzaldehyde
• CAS: 1403621-17-9
• 化学式: C₁₄H₆F₄O₃
• 分子量: 298.193
• InChiKey: VDOKLKUVCFKARL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,3,5,6-Tetrafluoro-4-(4-formylphenyloxy)benzaldehyde 、 5-(pentafluorophenyl)dipyrromethane 在 盐酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 甲醇 、 水 、 二氯甲烷 、 甲苯 为溶剂， 反应 0.67h， 以27%的产率得到corrole
  参考文献：
  名称：

  Vibrational properties of new corrole–fullerene dyad and its components

  摘要：

  We present first systematic spectral studies of a new corrole-fullerene dyad and its components: modified corrole and suitable spacer. The infrared absorption and Raman scattering spectra were measured in polycrystalline samples, at room temperature. Quantum chemical calculation results were compared with the experimental IR and Raman spectra. An attribution of the strongest IR and Raman bands was proposed. It was found that the strongest excitations in the dyad are mainly related to the excitations of the modified corrole part with some influence from the spacer and fullerene parts. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.dyepig.2012.07.024
• 作为产物：
  描述：

  五氟苯甲醛 、 对羟基苯甲醛 在 cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以59%的产率得到2,3,5,6-Tetrafluoro-4-(4-formylphenyloxy)benzaldehyde
  参考文献：
  名称：

  Vibrational properties of new corrole–fullerene dyad and its components

  摘要：

  We present first systematic spectral studies of a new corrole-fullerene dyad and its components: modified corrole and suitable spacer. The infrared absorption and Raman scattering spectra were measured in polycrystalline samples, at room temperature. Quantum chemical calculation results were compared with the experimental IR and Raman spectra. An attribution of the strongest IR and Raman bands was proposed. It was found that the strongest excitations in the dyad are mainly related to the excitations of the modified corrole part with some influence from the spacer and fullerene parts. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.dyepig.2012.07.024