4-formyl-2-(3,4-dimethoxyphenyl)-7-methoxybenzo[b]furan | 851066-31-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 4-formyl-2-(3,4-dimethoxyphenyl)-7-methoxybenzo[b]furan
• 英文别名: 2-(3,4-Dimethoxyphenyl)-7-methoxy-1-benzofuran-4-carbaldehyde
• CAS: 851066-31-4
• 化学式: C₁₈H₁₆O₅
• 分子量: 312.322
• InChiKey: OWTYMJAOFXWESR-UHFFFAOYSA-N

物化性质

• 沸点：
  478.6±45.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  57.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diisopropyl benzydrylphosphonate 、 4-formyl-2-(3,4-dimethoxyphenyl)-7-methoxybenzo[b]furan 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以51%的产率得到2-(3,4-Dimethoxy-phenyl)-4-(2,2-diphenyl-vinyl)-7-methoxy-benzofuran
  参考文献：
  名称：

  New Benzo[b]furans as Electroluminescent Materials for Emitting Blue Light

  摘要：

  [GRAPHICS]New functionalized mono- and bis-benzo[b]furan derivatives were synthesized and developed as blue-light emitting materials. They possessed a CN, CHO, CH = CHPh, CH = CPh2, or CH = CHCOOH group at the C4-position. Two benzo[b]furan nuclei in bis-benzo[b]furan derivatives were connected by a divinylbenzene bridge. With good volatility and thermal stability, bis-benzo[b]furan 7a was fabricated as a device. It emitted blue light with brightness 53430 cd/m(2) (at 15.5 V) and high maximum external quantum efficiency 3.75% (at 11 V).

  DOI：

  10.1021/ol050196d
• 作为产物：
  描述：

  3,4-二甲氧基苯乙炔 、 3-羟基-2-碘-4-甲氧基苯甲醛 在 bis-triphenylphosphine-palladium(II) chloride 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以60%的产率得到4-formyl-2-(3,4-dimethoxyphenyl)-7-methoxybenzo[b]furan
  参考文献：
  名称：

  New Benzo[b]furans as Electroluminescent Materials for Emitting Blue Light

  摘要：

  [GRAPHICS]New functionalized mono- and bis-benzo[b]furan derivatives were synthesized and developed as blue-light emitting materials. They possessed a CN, CHO, CH = CHPh, CH = CPh2, or CH = CHCOOH group at the C4-position. Two benzo[b]furan nuclei in bis-benzo[b]furan derivatives were connected by a divinylbenzene bridge. With good volatility and thermal stability, bis-benzo[b]furan 7a was fabricated as a device. It emitted blue light with brightness 53430 cd/m(2) (at 15.5 V) and high maximum external quantum efficiency 3.75% (at 11 V).

  DOI：

  10.1021/ol050196d