5-Hydroxy-4-[4-[(4-methoxyphenyl)methoxy]-2-methyl-1-piperidin-1-ylbutyl]-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione | 1057719-67-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Hydroxy-4-[4-[(4-methoxyphenyl)methoxy]-2-methyl-1-piperidin-1-ylbutyl]-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
• CAS: 1057719-67-1
• 化学式: C₂₈H₄₁NO₅
• 分子量: 471.637
• InChiKey: HCYDNKAXQAYECM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Hydroxy-4-[4-[(4-methoxyphenyl)methoxy]-2-methyl-1-piperidin-1-ylbutyl]-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione 在 盐酸 、 氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以166 mg的产率得到6-[4-(4-methoxybenzyloxy)-2-methylbutylidene]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
  参考文献：
  名称：

  Synthesis of antimalarial G-factors endoperoxides: relevant evidence of the formation of a biradical during the autoxidation step

  摘要：

  In the search for new antimalarial endoperoxides related to G-factors series, L[Sin, a methodology based on autoxidation of a dienol system, Unexpected cyclic ether alcohols and hydroperoxides were obtained confirming the structure of the previously postulated biradical intermediate implicated in oxygen uptake. Antimalarial activities of PMB-endoperoxides are greatly enhanced when the peroxyhemiketal function is methylated for the G3 endoperoxide. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.047
• 作为产物：
  描述：

  哌啶 、 syncarpic acid 、 4-(4-methoxybenzyloxy)-2-methylbutanal 以 二氯甲烷 为溶剂， 反应 24.5h， 生成 5-Hydroxy-4-[4-[(4-methoxyphenyl)methoxy]-2-methyl-1-piperidin-1-ylbutyl]-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
  参考文献：
  名称：

  Synthesis of antimalarial G-factors endoperoxides: relevant evidence of the formation of a biradical during the autoxidation step

  摘要：

  In the search for new antimalarial endoperoxides related to G-factors series, L[Sin, a methodology based on autoxidation of a dienol system, Unexpected cyclic ether alcohols and hydroperoxides were obtained confirming the structure of the previously postulated biradical intermediate implicated in oxygen uptake. Antimalarial activities of PMB-endoperoxides are greatly enhanced when the peroxyhemiketal function is methylated for the G3 endoperoxide. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.047