1-(4-hydroxy-2-nonenyloxy)-2-propyl-9,10-anthraquinone | 791615-15-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(4-hydroxy-2-nonenyloxy)-2-propyl-9,10-anthraquinone
• 英文别名: 1-[(E)-4-hydroxynon-2-enoxy]-2-propylanthracene-9,10-dione
• CAS: 791615-15-1
• 化学式: C₂₆H₃₀O₄
• 分子量: 406.522
• InChiKey: IKOSVYGNMLHHRR-FMIVXFBMSA-N

物化性质

• 熔点：
  94.0-95.0 °C(Solv: acetic acid (64-19-7); water (7732-18-5))
• 沸点：
  580.7±50.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxy-2-nonenyloxy)-2-propyl-9,10-anthraquinone 以 甲醇 为溶剂， 反应 5.0h， 生成 (E)-4-Hydroxy-2-nonenal
  参考文献：
  名称：

  Caged trans-4-Hydroxy-2-nonenal

  摘要：

  (GRAPHICS)A caged 4-hydroxy-2-nonenal (4-HNE) has been prepared and its photochemistry investigated. Upon photolysis, 1 releases 4-HNE in up to 100% yield. From these photolyses, 4-HNE could be isolated in up to 91% yield. 4-HNE is produced under either aerobic or anaerobic conditions. The caging strategy does not require prior preparation of 4-HNE and, therefore, represents a three-step synthetic route to the bioactive enal in 48% overall yield.

  DOI：

  10.1021/ol048478l
• 作为产物：
  描述：

  正戊基溴化镁 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.25h， 生成 1-(4-hydroxy-2-nonenyloxy)-2-propyl-9,10-anthraquinone
  参考文献：
  名称：

  Caged trans-4-Hydroxy-2-nonenal

  摘要：

  (GRAPHICS)A caged 4-hydroxy-2-nonenal (4-HNE) has been prepared and its photochemistry investigated. Upon photolysis, 1 releases 4-HNE in up to 100% yield. From these photolyses, 4-HNE could be isolated in up to 91% yield. 4-HNE is produced under either aerobic or anaerobic conditions. The caging strategy does not require prior preparation of 4-HNE and, therefore, represents a three-step synthetic route to the bioactive enal in 48% overall yield.

  DOI：

  10.1021/ol048478l