4-[2-(2-phenyl-4-oxo-3,4-dihydro-2H-benzo[1,3]oxazin-3-yl)ethoxy]benzaldehyde | 872988-86-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 4-[2-(2-phenyl-4-oxo-3,4-dihydro-2H-benzo[1,3]oxazin-3-yl)ethoxy]benzaldehyde
• CAS: 872988-86-8
• 化学式: C₂₃H₁₉NO₄
• 分子量: 373.408
• InChiKey: YZSIRTAGIAXHDL-UHFFFAOYSA-N

物化性质

• 沸点：
  605.7±55.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[2-(2-phenyl-4-oxo-3,4-dihydro-2H-benzo[1,3]oxazin-3-yl)ethoxy]benzaldehyde 、 2,4-噻唑烷二酮 在 哌啶 、 苯甲酸 作用下， 以 甲苯 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Dual PPAR-α and -γ activators derived from novel benzoxazinone containing thiazolidinediones having antidiabetic and hypolipidemic potential

  摘要：

  2,4-Thiazolidinedione derivatives of 1,3-benzoxazinone were synthesized and evaluated for their PPAR-alpha and gamma dual activation. DRF-2519, a compound obtained through SAR of TZD derivatives of benzoxazinone, has shown potent dual PPAR activation. In ob/ob mice, it showed better efficacy than the comparator molecules. In fat fed rat model, it showed significant improvement in lipid parameters, which was better than fibrates. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.043
• 作为产物：
  描述：

  水杨酰胺 在 polyphosphonate ethyl ester 、 potassium carbonate 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-[2-(2-phenyl-4-oxo-3,4-dihydro-2H-benzo[1,3]oxazin-3-yl)ethoxy]benzaldehyde
  参考文献：
  名称：

  Dual PPAR-α and -γ activators derived from novel benzoxazinone containing thiazolidinediones having antidiabetic and hypolipidemic potential

  摘要：

  2,4-Thiazolidinedione derivatives of 1,3-benzoxazinone were synthesized and evaluated for their PPAR-alpha and gamma dual activation. DRF-2519, a compound obtained through SAR of TZD derivatives of benzoxazinone, has shown potent dual PPAR activation. In ob/ob mice, it showed better efficacy than the comparator molecules. In fat fed rat model, it showed significant improvement in lipid parameters, which was better than fibrates. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.043