1-(4-methoxy-2,5-bis-methoxymethoxy-3-methyl-phenyl)-3-methyl-butan-2-ol | 761457-37-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-methoxy-2,5-bis-methoxymethoxy-3-methyl-phenyl)-3-methyl-butan-2-ol
• CAS: 761457-37-8
• 化学式: C₁₇H₂₈O₆
• 分子量: 328.406
• InChiKey: MVFSRQIVSPWOMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  66.38
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-(4-methoxy-2,5-bis-methoxymethoxy-3-methyl-phenyl)-3-methyl-butan-2-ol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 以89%的产率得到1-(4-methoxy-2,5-bis-methoxymethoxy-3-methyl-phenyl)-3-methyl-butan-2-one
  参考文献：
  名称：

  Synthesis of Analogue Structures of the p-Quinone Methide Moiety of Kendomycin

  摘要：

  The synthesis of two model p-quinone methide ring systems of the antibiotic and antiosteoporotic compound kendomycin is reported. Two approaches were examined in detail, and the two-step (i) demethylation and (ii) DMDO oxidation were found to be reliable and generally applicable. Additionally, it was found that oxidation of a benzofuran by NaIO4 on silica produced a long-lived semiquinone radical.

  DOI：

  10.1021/ol048825r
• 作为产物：
  描述：

  1,2-环氧-3-甲基丁烷 、 1-bromo-4-methoxy-2,5-bis(methoxymethoxy)-3-methylbenzene 在 碘 、 magnesium 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 以85%的产率得到1-(4-methoxy-2,5-bis-methoxymethoxy-3-methyl-phenyl)-3-methyl-butan-2-ol
  参考文献：
  名称：

  Synthesis of Analogue Structures of the p-Quinone Methide Moiety of Kendomycin

  摘要：

  The synthesis of two model p-quinone methide ring systems of the antibiotic and antiosteoporotic compound kendomycin is reported. Two approaches were examined in detail, and the two-step (i) demethylation and (ii) DMDO oxidation were found to be reliable and generally applicable. Additionally, it was found that oxidation of a benzofuran by NaIO4 on silica produced a long-lived semiquinone radical.

  DOI：

  10.1021/ol048825r