4-[2-(4'-Ethyl-biphenyl-4-yloxy)-ethoxy]-benzaldehyde | 877615-10-6

• 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: 4-[2-(4'-Ethyl-biphenyl-4-yloxy)-ethoxy]-benzaldehyde
• 英文别名: 4-[2-[4-(4-ethylphenyl)phenoxy]ethoxy]benzaldehyde
• CAS: 877615-10-6
• 化学式: C₂₃H₂₂O₃
• 分子量: 346.426
• InChiKey: LTDDKCNXOSAABX-UHFFFAOYSA-N

物化性质

• 沸点：
  537.7±50.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-[2-(4'-Ethyl-biphenyl-4-yloxy)-ethoxy]-benzaldehyde 在 palladium on activated charcoal sodium hydroxide 、 potassium tert-butylate 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 3.0h， 生成 2-Ethoxy-3-{4-[2-(4'-ethyl-biphenyl-4-yloxy)-ethoxy]-phenyl}-propionic acid
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-alkoxydihydrocinnamates as PPAR agonists

  摘要：

  A series of 2-alkoxydihydrocinnamates were synthesized as PPAR gamma and PPAR alpha dual agonists. In vitro studies in cell model showed that these compounds were efficacious. Compound 1g was found to be a potent PPAR alpha/gamma dual agonist and will be further evaluated for the treatment of type II diabetes. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.10.104
• 作为产物：
  描述：

  4-乙基苯硼酸 在 palladium on activated charcoal potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[2-(4'-Ethyl-biphenyl-4-yloxy)-ethoxy]-benzaldehyde
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-alkoxydihydrocinnamates as PPAR agonists

  摘要：

  A series of 2-alkoxydihydrocinnamates were synthesized as PPAR gamma and PPAR alpha dual agonists. In vitro studies in cell model showed that these compounds were efficacious. Compound 1g was found to be a potent PPAR alpha/gamma dual agonist and will be further evaluated for the treatment of type II diabetes. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.10.104