4-(2-氟-5-甲氧基苯基)苯酚 | 1261916-26-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2-氟-5-甲氧基苯基)苯酚
• 英文名称: 4-(2-Fluoro-5-methoxyphenyl)phenol
• CAS: 1261916-26-0
• 化学式: C₁₃H₁₁FO₂
• 分子量: 218.228
• InChiKey: FRYKSWBOYWSTBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-氟-5-甲氧基苯基)苯酚 在 copper(l) iodide 、 sodium tetrachloropalladate(II) 、 四甲基乙二胺 、 potassium carbonate 、 2-二叔丁基膦-1-苯基吲哚 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成
  参考文献：
  名称：

  Design, synthesis and evaluation of potent G-protein coupled receptor 40 agonists

  摘要：

  GPR40 has emerged as an attractive drug target for the treatment of type 2 diabetes due to its role in the enhancement of insulin secretion with glucose dependency. With the aim to improve the metabolic and safety profiles, a series of novel phenylpropionic acid derivatives were synthesized. Extensive structural optimization led to identification of compounds 22g and 23e as potent GPR40 agonists with moderate liver microsomal stability. All the discovery supported further exploration surrounding this scaffold. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.09.002
• 作为产物：
  描述：

  4-苄氧基溴苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 palladium on activated charcoal 、 氢气 、 potassium acetate 、 sodium carbonate 、 lithium chloride 作用下， 以 1,4-二氧六环 、 水 、 乙酸乙酯 为溶剂， 反应 23.0h， 生成 4-(2-氟-5-甲氧基苯基)苯酚
  参考文献：
  名称：

  Design, synthesis and evaluation of potent G-protein coupled receptor 40 agonists

  摘要：

  GPR40 has emerged as an attractive drug target for the treatment of type 2 diabetes due to its role in the enhancement of insulin secretion with glucose dependency. With the aim to improve the metabolic and safety profiles, a series of novel phenylpropionic acid derivatives were synthesized. Extensive structural optimization led to identification of compounds 22g and 23e as potent GPR40 agonists with moderate liver microsomal stability. All the discovery supported further exploration surrounding this scaffold. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.09.002

文献信息

• Design, synthesis and evaluation of potent G-protein coupled receptor 40 agonists
  作者：Jing Huang、Bin Guo、Wen-Jing Chu、Xin Xie、Yu-She Yang、Xian-Li Zhou

  DOI：10.1016/j.cclet.2015.09.002

  日期：2016.1

  GPR40 has emerged as an attractive drug target for the treatment of type 2 diabetes due to its role in the enhancement of insulin secretion with glucose dependency. With the aim to improve the metabolic and safety profiles, a series of novel phenylpropionic acid derivatives were synthesized. Extensive structural optimization led to identification of compounds 22g and 23e as potent GPR40 agonists with moderate liver microsomal stability. All the discovery supported further exploration surrounding this scaffold. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.