Methyl [3-[[2-(4,5-diphenyl-2-oxazolyl)phenyl]-methyl]phenoxy]acetate | 171045-88-8

• 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 [3-[[2-(4,5-diphenyl-2-oxazolyl)phenyl]-methyl]phenoxy]acetate
• 英文别名: Methyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]methyl]phenoxy]acetate
• CAS: 171045-88-8
• 化学式: C₃₁H₂₅NO₄
• 分子量: 475.544
• InChiKey: QEUNBVXYFHAAMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl [3-[[2-(4,5-diphenyl-2-oxazolyl)phenyl]-methyl]phenoxy]acetate 在 sodium hydroxide 作用下， 以 乙二醇二甲醚 为溶剂， 以90%的产率得到Sodium [3-[[2-(4,5-diphenyl-2-oxazolyl)phenyl]methyl]phenoxy]acetate
  参考文献：
  名称：

  Replacing the cyclohexene-linker of FR181157 leading to novel IP receptor agonists: Orally active prostacyclin mimetics. Part 6

  摘要：

  The synthesis and biological activity of novel derivatives of our previously reported IP receptor agonist FR181157 is described. SAR studies to replace the cyclohexene-linker of FR181157 led to the discovery of compound 1i (FR207845) as a potent non-prostanoid PGI(2) mimetic with good oral bioavailability. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.076
• 作为产物：
  描述：

  3-苄氧基苯甲醛 在 palladium on activated charcoal 盐酸 、 氢气 、 potassium carbonate 、 magnesium 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl [3-[[2-(4,5-diphenyl-2-oxazolyl)phenyl]-methyl]phenoxy]acetate
  参考文献：
  名称：

  Replacing the cyclohexene-linker of FR181157 leading to novel IP receptor agonists: Orally active prostacyclin mimetics. Part 6

  摘要：

  The synthesis and biological activity of novel derivatives of our previously reported IP receptor agonist FR181157 is described. SAR studies to replace the cyclohexene-linker of FR181157 led to the discovery of compound 1i (FR207845) as a potent non-prostanoid PGI(2) mimetic with good oral bioavailability. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.076