1-(3-Allyl-2,4-dihydroxy-phenyl)-2,2,2-trifluoro-ethanone | 709028-25-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-Allyl-2,4-dihydroxy-phenyl)-2,2,2-trifluoro-ethanone
• 英文别名: 1-(2,4-Dihydroxy-3-prop-2-enylphenyl)-2,2,2-trifluoroethanone
• CAS: 709028-25-1
• 化学式: C₁₁H₉F₃O₃
• 分子量: 246.186
• InChiKey: MGJLLZAHGJCLMA-UHFFFAOYSA-N

物化性质

• 沸点：
  340.0±42.0 °C(predicted)
• 密度：
  1.378±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(3-Allyl-2,4-dihydroxy-phenyl)-2,2,2-trifluoro-ethanone 在 palladium on activated charcoal 氢气 作用下， 以 various solvent(s) 为溶剂， 以100%的产率得到1-(2,4-二羟基-3-丙基苯基)-2,2,2-三氟乙酮
  参考文献：
  名称：

  Phenylacetic acid derivatives as hPPAR agonists

  摘要：

  Beginning with the weakly active lead structure 1, a new series of WAR agonists was developed. In vivo glucose and triglyceride lowering activity was obtained by homologation and oxamination to 3, then conversion to substituted benzisoxazoles 4 and 5. Further manipulation afforded benzofurans 6 and 7. Compound 7 was of comparable potency as a glucose and triglyceride lowering agent in insulin resistant rodents to BRL 49653. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00115-x
• 作为产物：
  描述：

  1-(2-Allyloxy-4-hydroxy-phenyl)-2,2,2-trifluoro-ethanone 以 邻二氯苯 为溶剂， 生成 1-(3-Allyl-2,4-dihydroxy-phenyl)-2,2,2-trifluoro-ethanone
  参考文献：
  名称：

  Phenylacetic acid derivatives as hPPAR agonists

  摘要：

  Beginning with the weakly active lead structure 1, a new series of WAR agonists was developed. In vivo glucose and triglyceride lowering activity was obtained by homologation and oxamination to 3, then conversion to substituted benzisoxazoles 4 and 5. Further manipulation afforded benzofurans 6 and 7. Compound 7 was of comparable potency as a glucose and triglyceride lowering agent in insulin resistant rodents to BRL 49653. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00115-x