2-(4-oxycarbonylbutyryl)-3,5-dimethoxybenzoic acid methyl ester | 918668-51-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-oxycarbonylbutyryl)-3,5-dimethoxybenzoic acid methyl ester
• CAS: 918668-51-6
• 化学式: C₁₅H₁₈O₇
• 分子量: 310.304
• InChiKey: CMTHGTKQFKYLSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  22.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.13
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(4-oxycarbonylbutyryl)-3,5-dimethoxybenzoic acid methyl ester 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 反应 5.0h， 以42%的产率得到2-(4-oxycarbonylbutyl)-3,5-dimethoxybenzoic acid methyl ester
  参考文献：
  名称：

  Synthesis of diverse analogues of Oenostacin and their antibacterial activities☆

  摘要：

  Several diverse analogues of Oenostacin, a naturally occurring potent antibacterial phenolic acid derivative, have been synthesized. A small library with more than forty analogues having different aromatic rings and varied side chains has been achieved through solution phase synthesis. Some of these analogues, that is, 22, 23 and 42, possessed potent antibacterial activities against Staphylococcus epidermidis and Staphylococcus aureus having EC50 ranging from 0.49 to 0.67 mu M as compared to Oenostacin (EC50 = 0.12 mu M). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.034
• 作为产物：
  描述：

  戊二酸酐 、 3,5-二甲氧基苯甲酸甲酯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到2-(4-oxycarbonylbutyryl)-3,5-dimethoxybenzoic acid methyl ester
  参考文献：
  名称：

  Synthesis of diverse analogues of Oenostacin and their antibacterial activities☆

  摘要：

  Several diverse analogues of Oenostacin, a naturally occurring potent antibacterial phenolic acid derivative, have been synthesized. A small library with more than forty analogues having different aromatic rings and varied side chains has been achieved through solution phase synthesis. Some of these analogues, that is, 22, 23 and 42, possessed potent antibacterial activities against Staphylococcus epidermidis and Staphylococcus aureus having EC50 ranging from 0.49 to 0.67 mu M as compared to Oenostacin (EC50 = 0.12 mu M). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.034