methyl 2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoate | 1145669-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoate
• CAS: 1145669-89-1
• 化学式: C₂₃H₂₆N₂O₅
• 分子量: 410.47
• InChiKey: BLUPLUVKZKQSQK-QHCPKHFHSA-N

物化性质

• 沸点：
  572.7±60.0 °C(predicted)
• 密度：
  1.172±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  30.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.68
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  methyl 2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoate 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 1.0h， 以96%的产率得到2-methoxy-2-methyl-3-{6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyridin-3-yl}propanoic acid
  参考文献：
  名称：

  Synthesis of 2-methoxy-2-methyl-3-{6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyridin-3-yl}propanoic acid, a dual PPARα/γ agonist

  摘要：

  Large quantities of an enantiomerically Pure novel dual PPAR alpha/gamma against were required. Three routes were successfully developed to achieve this goal, with the chosen route utilized to deliver 40 g of material. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.113
• 作为产物：
  描述：

  methyl (2S)-3-(6-chloropyridin-3-yl)-2-methoxy-2-methylpropanoate 、 2-(5-甲基-2-苯基-1,3-恶唑-4-基)-1-乙醇 在 racemic-2-(di-tert-butylphosphino)-1,1′-binaphthyl 、 palladium diacetate 、 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以81%的产率得到methyl 2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoate
  参考文献：
  名称：

  Synthesis of 2-methoxy-2-methyl-3-{6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyridin-3-yl}propanoic acid, a dual PPARα/γ agonist

  摘要：

  Large quantities of an enantiomerically Pure novel dual PPAR alpha/gamma against were required. Three routes were successfully developed to achieve this goal, with the chosen route utilized to deliver 40 g of material. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.113