3,3'-(1,4-phenylene)bis(1,5-bis(2,5-dimethylfuran-3-yl)pentane-1,5-dione) | 1351999-94-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,3'-(1,4-phenylene)bis(1,5-bis(2,5-dimethylfuran-3-yl)pentane-1,5-dione)
• 英文别名: 3-[4-[1,5-Bis(2,5-dimethylfuran-3-yl)-1,5-dioxopentan-3-yl]phenyl]-1,5-bis(2,5-dimethylfuran-3-yl)pentane-1,5-dione
• CAS: 1351999-94-4
• 化学式: C₄₀H₄₂O₈
• 分子量: 650.769
• InChiKey: WQMXJKFINHOYPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-乙酰基-2,5-二甲基呋喃 、 3,3'-(1,4-phenylene)bis(1-(2,5-dimethylfuran-3-yl)prop-2-en-1-one) 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 0.17h， 以70%的产率得到3,3'-(1,4-phenylene)bis(1,5-bis(2,5-dimethylfuran-3-yl)pentane-1,5-dione)
  参考文献：
  名称：

  Synthesis of new 3,3′-(1,4-phenylene)bis(1,5-diones) derivatives

  摘要：

  AbstractSeveral 3,3′‐(1,4‐phenylene)bis(1,5‐diones) and their chalcone precursors have been prepared in good to excellent yield via aldol addition and Michael addition starting from 3‐acetyl‐2,5‐dimethylfuran or 3‐acetyl‐2,5‐dimethyl‐thiophene with terephthalaldehyde in the presence of appropriate base NaOH or lithium diisopropylamide. The kind and amount of alkali played a critical role in improving the reaction rates and yields of the products. J. Heterocyclic Chem., (2011).

  DOI：

  10.1002/jhet.737

文献信息

• Synthesis of new 3,3′-(1,4-phenylene)bis(1,5-diones) derivatives
  作者：Qiang Shao、Hui Liu、Ting-Ting Wang、He-Ping Zeng

  DOI：10.1002/jhet.737

  日期：2011.11

  AbstractSeveral 3,3′‐(1,4‐phenylene)bis(1,5‐diones) and their chalcone precursors have been prepared in good to excellent yield via aldol addition and Michael addition starting from 3‐acetyl‐2,5‐dimethylfuran or 3‐acetyl‐2,5‐dimethyl‐thiophene with terephthalaldehyde in the presence of appropriate base NaOH or lithium diisopropylamide. The kind and amount of alkali played a critical role in improving the reaction rates and yields of the products. J. Heterocyclic Chem., (2011).