methyl-2,6-dihydroxy-3-isovaleryl-4-methoxybenzoate | 162071-05-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl-2,6-dihydroxy-3-isovaleryl-4-methoxybenzoate
• 英文别名: Methyl 2,6-dihydroxy-4-methoxy-3-(3-methylbutanoyl)benzoate
• CAS: 162071-05-8
• 化学式: C₁₄H₁₈O₆
• 分子量: 282.293
• InChiKey: FAPUNRCNVFCFIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl-2,6-dihydroxy-3-isovaleryl-4-methoxybenzoate 在 氢氧化钾 、 三氟化硼乙醚 作用下， 反应 52.5h， 生成 2,4-dihydroxy-6-methoxy-5-(3-methyl-2-butenyl)isovalerophenone
  参考文献：
  名称：

  Bioactive chromenes fromRhyncholacis penicillata

  摘要：

  Investigation of the aerial parts of Rhyncholacis penicillata afforded the new chromenes, 7-hydroxy-6-(3-methylbutyryl)-5-oxymethyl-chromene (rhynchonin A) and 7-hydroxy-6-(2-methylbutyryl)-6-oxymethylchromene (rhynchonin B). Structures were elucidated by spectroscopic methods and independent synthesis. Rhynchonin A showed broad insecticidal, acaricidal and nematicidal potency including strong biological activity against Heliothis tea.

  DOI：

  10.1016/s0031-9422(00)89573-4
• 作为产物：
  描述：

  methyl-2,6-dihydroxy-4-methoxybenzoate 、 异戊酰氯 在 三氯化铝 作用下， 生成 methyl-2,6-dihydroxy-3-isovaleryl-4-methoxybenzoate
  参考文献：
  名称：

  Bioactive chromenes fromRhyncholacis penicillata

  摘要：

  Investigation of the aerial parts of Rhyncholacis penicillata afforded the new chromenes, 7-hydroxy-6-(3-methylbutyryl)-5-oxymethyl-chromene (rhynchonin A) and 7-hydroxy-6-(2-methylbutyryl)-6-oxymethylchromene (rhynchonin B). Structures were elucidated by spectroscopic methods and independent synthesis. Rhynchonin A showed broad insecticidal, acaricidal and nematicidal potency including strong biological activity against Heliothis tea.

  DOI：

  10.1016/s0031-9422(00)89573-4