4-[6-(3-acetoxypropyl)-2,3,4-trimethoxyphenyl]-4-oxo-butyric acid methyl ester | 482578-87-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[6-(3-acetoxypropyl)-2,3,4-trimethoxyphenyl]-4-oxo-butyric acid methyl ester
• 英文别名: Methyl 4-[6-(3-acetyloxypropyl)-2,3,4-trimethoxyphenyl]-4-oxobutanoate
• CAS: 482578-87-0
• 化学式: C₁₉H₂₆O₈
• 分子量: 382.411
• InChiKey: IHRWFVHYOJVUAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  512.1±50.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  97.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[6-(3-acetoxypropyl)-2,3,4-trimethoxyphenyl]-4-oxo-butyric acid methyl ester 在 N-甲基吲哚酮 、 molecular sieve 、 四丙基高钌酸铵 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  SYNTHESIS OF HIGHLY FUNCTIONALIZED ARENE SYSTEMS. NOVEL SELECTIVITIES OF INTRA- AND INTERMOLECULAR FRIEDEL–CRAFTS REACTIONS

  摘要：

  The intermolecular Friedel-Crafts acylation of electron-rich aromatic rings can be difficult in the presence of easily ionized groups. During these studies directed,toward the synthesis of colchicine, it was observed that the stability of the cation is key to controlling alternative competing processes.

  DOI：

  10.1081/scc-120006014
• 作为产物：
  描述：

  3-(3,4,5-三甲氧基苯基)-1-丙醇 在 吡啶 、 4-二甲氨基吡啶 、 四氯化锡 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 4-[6-(3-acetoxypropyl)-2,3,4-trimethoxyphenyl]-4-oxo-butyric acid methyl ester
  参考文献：
  名称：

  SYNTHESIS OF HIGHLY FUNCTIONALIZED ARENE SYSTEMS. NOVEL SELECTIVITIES OF INTRA- AND INTERMOLECULAR FRIEDEL–CRAFTS REACTIONS

  摘要：

  The intermolecular Friedel-Crafts acylation of electron-rich aromatic rings can be difficult in the presence of easily ionized groups. During these studies directed,toward the synthesis of colchicine, it was observed that the stability of the cation is key to controlling alternative competing processes.

  DOI：

  10.1081/scc-120006014

文献信息

• SYNTHESIS OF HIGHLY FUNCTIONALIZED ARENE SYSTEMS. NOVEL SELECTIVITIES OF INTRA- AND INTERMOLECULAR FRIEDEL–CRAFTS REACTIONS
  作者：Mark C. McMills、Dennis L. Wright、R. Matt Weekly

  DOI：10.1081/scc-120006014

  日期：2002.1

  The intermolecular Friedel-Crafts acylation of electron-rich aromatic rings can be difficult in the presence of easily ionized groups. During these studies directed,toward the synthesis of colchicine, it was observed that the stability of the cation is key to controlling alternative competing processes.