methyl (2S)-3-(6-chloropyridin-3-yl)-2-methoxy-2-methylpropanoate | 1145669-85-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (2S)-3-(6-chloropyridin-3-yl)-2-methoxy-2-methylpropanoate
• CAS: 1145669-85-7
• 化学式: C₁₁H₁₄ClNO₃
• 分子量: 243.69
• InChiKey: GPUIDXASHNANHL-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  C₁₁H₁₄ClNO₃ 在 protease from bovine pancreas 作用下， 以 乙腈 为溶剂， 以44%的产率得到methyl (2S)-3-(6-chloropyridin-3-yl)-2-methoxy-2-methylpropanoate
  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

文献信息

• 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
  作者：Paul S. Humphries、Quyen-Quyen T. Do、David M. Wilhite

  DOI：10.1016/j.tetlet.2009.01.113

  日期：2009.4

  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.