methyl 6-methoxy-2-methyl-3-oxo-2,3-dihydrobenzofuran-2-carboxylate | 1367455-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: methyl 6-methoxy-2-methyl-3-oxo-2,3-dihydrobenzofuran-2-carboxylate
• CAS: 1367455-93-3
• 化学式: C₁₂H₁₂O₅
• 分子量: 236.224
• InChiKey: DVQCVTKTEWHOBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4-methoxy-2-(1-methoxycarbonyl-ethoxy)-benzoic acid methyl ester 在 potassium carbonate 、 potassium bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 methyl 6-methoxy-2-methyl-3-oxo-2,3-dihydrobenzofuran-2-carboxylate
  参考文献：
  名称：

  Hammet Constants Effects in Microwave Cascade Etherification-Cyclization-Krapcho Reaction to Access [2,3]-Dihydrobenzofuran-3-ones from Salicylic Derivatives

  摘要：

  Two methods were evaluated for the synthesis of substituted [2,3]-dihydro-2-methyl-benzofuran-3-ones from corresponding salicylate esters under microwave irradiation. A two-step sequence via ether intermediates was convenient for various substituted salicylate derivatives, while the second strategy involving a one-pot procedure was efficient for electron-donating substituted salicylates. Results allowed correlation of the Hammett constants effects in the intramolecular cyclization of O-ethoxycarbonyl ether of salicylic esters.

  DOI：

  10.1080/00397911.2010.533806