1-(3-Methoxy-phenoxy)-butan-2-one | 709028-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3-Methoxy-phenoxy)-butan-2-one
• 英文别名: 1-(3-Methoxyphenoxy)butan-2-one
• CAS: 709028-32-0
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: MYULVSDOEKPEBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Methoxy-phenoxy)-butan-2-one 在 palladium on activated charcoal 甲烷磺酸 、 氢气 、 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， -10.0~20.0 ℃ 、101.33 kPa 条件下， 反应 1.5h， 生成 methyl 3-chloro-4-(3-(3-ethyl-7-propylbenzofuran-6-yloxy)propylthio)-phenylacetate
  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：

  3-甲氧基苯酚 、 溴丁酮 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(3-Methoxy-phenoxy)-butan-2-one
  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.