7-Allyl-3-ethyl-benzofuran-6-ol | 709028-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 7-Allyl-3-ethyl-benzofuran-6-ol
• 英文别名: 7-Allyl-3-ethyl-1-benzo[b]furan-6-ol；3-ethyl-7-prop-2-enyl-1-benzofuran-6-ol
• CAS: 709028-64-8
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.253
• InChiKey: UORBKDGZXMNUAX-UHFFFAOYSA-N

物化性质

• 沸点：
  219.6±20.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  33.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-Allyl-3-ethyl-benzofuran-6-ol 在 palladium on activated charcoal 氢气 作用下， 以 various solvent(s) 为溶剂， 反应 0.5h， 生成 3-ethyl-6-hydroxy-7-propylbenzofuran
  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-(3-Methoxy-phenoxy)-butan-2-one 在 甲烷磺酸 、 三溴化硼 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 邻二氯苯 为溶剂， 反应 1.0h， 生成 7-Allyl-3-ethyl-benzofuran-6-ol
  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

文献信息

• Phenylacetic acid derivatives as hPPAR agonists
  作者：Conrad Santini、Gregory D Berger、Wei Han、Ralph Mosley、Karen MacNaul、Joel Berger、Thomas Doebber、Margaret Wu、David E Moller、Richard L Tolman、Soumya P Sahoo

  DOI：10.1016/s0960-894x(03)00115-x

  日期：2003.4

  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.