methyl 2-(2,6-dimethoxyphenoxy)-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanoate | 1434536-78-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-(2,6-dimethoxyphenoxy)-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanoate
• CAS: 1434536-78-3
• 化学式: C₁₉H₂₀O₈
• 分子量: 376.363
• InChiKey: RRVJWOURLVFDTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  100.52
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  methyl 2-(2,6-dimethoxyphenoxy)-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanoate 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 以55%的产率得到1-(4-hydroxy-3-methoxyphenyl)-2-(2,6-dimethoxyphenoxy)-propane-1,3-diol
  参考文献：
  名称：

  Efficient Cobalt-Catalyzed Oxidative Conversion of Lignin Models to Benzoquinones

  摘要：

  Phenolic lignin model monomers and dimers representing the primary substructural units of lignin were successfully oxidized to benzoquinones in high yield with molecular oxygen using new Co-Schiff base catalysts bearing a bulky heterocyclic nitrogen base as a substituent. This is the first example of a catalytic system able to convert both S and G lignin model phenols in high yield, a process necessary for effective use of lignin as a chemical feedstock.

  DOI：

  10.1021/ol401065r
• 作为产物：
  描述：

  methyl 3-(4-(benzyloxy)-3-methoxyphenyl)-2-(2,6-dimethoxyphenoxy)-3-oxopropanoate 在 5%-palladium/activated carbon 、 氢气 作用下， 反应 1.0h， 以87%的产率得到methyl 2-(2,6-dimethoxyphenoxy)-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanoate
  参考文献：
  名称：

  Efficient Cobalt-Catalyzed Oxidative Conversion of Lignin Models to Benzoquinones

  摘要：

  Phenolic lignin model monomers and dimers representing the primary substructural units of lignin were successfully oxidized to benzoquinones in high yield with molecular oxygen using new Co-Schiff base catalysts bearing a bulky heterocyclic nitrogen base as a substituent. This is the first example of a catalytic system able to convert both S and G lignin model phenols in high yield, a process necessary for effective use of lignin as a chemical feedstock.

  DOI：

  10.1021/ol401065r