4-[2-(6-benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethoxy]-4-oxobutanoic acid | 1258204-20-4

• 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: 4-[2-(6-benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethoxy]-4-oxobutanoic acid
• 英文别名: 4-[2-(6-Benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl)ethoxy]-4-oxobutanoic acid；4-oxo-4-[2-(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)ethoxy]butanoic acid
• CAS: 1258204-20-4
• 化学式: C₂₆H₃₂O₆
• 分子量: 440.536
• InChiKey: TXGZMWLDVMZTQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[2-(6-benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethoxy]-4-oxobutanoic acid 、 白桦脂酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 反应 24.0h， 以71%的产率得到3β-O-{4-[2-(6-benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethoxy]-4-oxobutanoyl}betulinic acid
  参考文献：
  名称：

  Synthesis of triterpene acids conjugates with α-tocopherol synthetic analogs

  摘要：

  Heterodimers were synthesized of pharmacologically important alpha-tocopherol synthetic analogs with triterpene acids(betulonic, betulinic), potential polyfunctionsl drugs possessing antioxidant activity. The combination of the fragments of biologically active substances was performed through linkers (residues of succinic acid, hydrazine, glycine, tetramethylenediamine) binding the side chain of the antioxidant molecule with atoms C-3 or C-28 of the terpenoid.

  DOI：

  10.1134/s1070428010090150
• 作为产物：
  描述：

  丁二酸酐 、 6-benzyloxy-2-(2-hydroxyethyl)-2,5,7,8-tetramethylchroman 在 吡啶 、 4-二甲氨基吡啶 作用下， 以64%的产率得到4-[2-(6-benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethoxy]-4-oxobutanoic acid
  参考文献：
  名称：

  Synthesis of triterpene acids conjugates with α-tocopherol synthetic analogs

  摘要：

  Heterodimers were synthesized of pharmacologically important alpha-tocopherol synthetic analogs with triterpene acids(betulonic, betulinic), potential polyfunctionsl drugs possessing antioxidant activity. The combination of the fragments of biologically active substances was performed through linkers (residues of succinic acid, hydrazine, glycine, tetramethylenediamine) binding the side chain of the antioxidant molecule with atoms C-3 or C-28 of the terpenoid.

  DOI：

  10.1134/s1070428010090150

文献信息

• Synthesis of triterpene acids conjugates with α-tocopherol synthetic analogs
  作者：A. Yu. Spivak、R. R. Mufazzalova、E. R. Shakurova、V. N. Odinokov

  DOI：10.1134/s1070428010090150

  日期：2010.9

  Heterodimers were synthesized of pharmacologically important alpha-tocopherol synthetic analogs with triterpene acids(betulonic, betulinic), potential polyfunctionsl drugs possessing antioxidant activity. The combination of the fragments of biologically active substances was performed through linkers (residues of succinic acid, hydrazine, glycine, tetramethylenediamine) binding the side chain of the antioxidant molecule with atoms C-3 or C-28 of the terpenoid.