methyl 2-(2,3-dimethyl)-phenoxybutyrate | 3347-51-1

• 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: methyl 2-(2,3-dimethyl)-phenoxybutyrate
• 英文别名: Methyl 2-(2,3-dimethylphenoxy)butanoate
• CAS: 3347-51-1
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: HRTVONIEKZUYMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  methyl 2-(2,3-dimethyl)-phenoxybutyrate 在 吡啶 、 氯磺酸 、 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 potassium carbonate 、 caesium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.29h， 生成 2-[4-[Butyl-[3-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2,3-dimethylphenoxy]butanoic acid
  参考文献：
  名称：

  Phenoxyacetic acids as PPARδ partial agonists: Synthesis, optimization, and in vivo efficacy

  摘要：

  A series of phenoxyacetic acids as subtype selective and potent hPPAR delta partial agonists is described. Many analogues were readily accessible via a single solution-phase synthetic route which resulted in the rapid identification of key structure-activity relationships (SAR), and the discovery of two potent exemplars which were further evaluated in vivo. Details of the SAR, optimization, and in vivo efficacy of this series are presented herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.077
• 作为产物：
  描述：

  2-溴丁酸甲酯 、 二甲酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 methyl 2-(2,3-dimethyl)-phenoxybutyrate
  参考文献：
  名称：

  Phenoxyacetic acids as PPARδ partial agonists: Synthesis, optimization, and in vivo efficacy

  摘要：

  A series of phenoxyacetic acids as subtype selective and potent hPPAR delta partial agonists is described. Many analogues were readily accessible via a single solution-phase synthetic route which resulted in the rapid identification of key structure-activity relationships (SAR), and the discovery of two potent exemplars which were further evaluated in vivo. Details of the SAR, optimization, and in vivo efficacy of this series are presented herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.077

文献信息

• Miticidal 2-(phenoxy-alpha-alkyl)-imidazolines
  申请人：Ciba-Geigy Corporation

  公开号：US04276302A1

  公开（公告）日：1981-06-30

  Novel 2-(phenoxy-.alpha.-alkyl)-imidazolines of the formula ##STR1## wherein R.sub.1 and R.sub.2, each independently of the other, are methyl or chlorine, or together they are --(CH.sub.2).sub.3 or --(CH.sub.2).sub.4 group and R.sub.3 is ethyl, n-propyl or isopropyl, processes for obtaining these compounds and compositions containing them for the control of plant-damaging mites and mites which are parasites of animals.

  2-（苯氧基-α-烷基）-咪唑啉的新型化合物，其化学式为##STR1##其中R.sub.1和R.sub.2分别独立地为甲基或氯，或者它们一起为--（CH.sub.2）.sub.3或--（CH.sub.2）.sub.4基团，而R.sub.3为乙基、正丙基或异丙基，制备这些化合物的过程以及含有它们的组合物，用于控制对植物有害的螨和寄生于动物的螨。
• US4276302A
  申请人：——

  公开号：US4276302A

  公开（公告）日：1981-06-30
• Phenoxyacetic acids as PPARδ partial agonists: Synthesis, optimization, and in vivo efficacy
  作者：Karen A. Evans、Barry G. Shearer、David D. Wisnoski、Dongchuan Shi、Steven M. Sparks、Daniel D. Sternbach、Deborah A. Winegar、Andrew N. Billin、Christy Britt、James M. Way、Andrea H. Epperly、Lisa M. Leesnitzer、Raymond V. Merrihew、Robert X. Xu、Millard H. Lambert、Jian Jin

  DOI：10.1016/j.bmcl.2011.02.077

  日期：2011.4

  A series of phenoxyacetic acids as subtype selective and potent hPPAR delta partial agonists is described. Many analogues were readily accessible via a single solution-phase synthetic route which resulted in the rapid identification of key structure-activity relationships (SAR), and the discovery of two potent exemplars which were further evaluated in vivo. Details of the SAR, optimization, and in vivo efficacy of this series are presented herein. (C) 2011 Elsevier Ltd. All rights reserved.