5,12-dihydro-1,3,11-trihydroxytetracen-12-one | 101875-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 5,12-dihydro-1,3,11-trihydroxytetracen-12-one
• 英文别名: 2,4,6-trihydroxy-12H-naphthacen-5-one；2,4,6-Trihydroxy-12H-naphthacen-5-on；2,4,6-trihydroxy-12H-tetracen-5-one
• CAS: 101875-33-6
• 化学式: C₁₈H₁₂O₄
• 分子量: 292.291
• InChiKey: ZZYJNSJXHCLJEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,12-dihydro-1,3,11-trihydroxytetracen-12-one 在 哌啶 、 吡啶-N-氧化物 、 iron(II) sulfate 作用下， 以 吡啶 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  On the Chemistry of a Dibenzohypericin Derivative

  摘要：

  A hypericin derivative was synthesized in which instead of the methyl groups two benzene rings were condensed to the chromophoric system in order to extend its conjugation. This derivative showed lowered fluorescence and concomitantly enhanced sensitized production of active oxygen species as compared to hypericin. However, in contrast to intuition its long wavelength band remained unshifted in comparison to its parent compound hypericin. Geometry and absorption properties were also investigated by means of semiempirical calculations.

  DOI：

  10.1007/s007060270009
• 作为产物：
  描述：

  5,12-dihydro-1,3,11-trimethoxytetracen-12-one 在 氢溴酸 、 tin(ll) chloride 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 以85%的产率得到5,12-dihydro-1,3,11-trihydroxytetracen-12-one
  参考文献：
  名称：

  On the Chemistry of a Dibenzohypericin Derivative

  摘要：

  A hypericin derivative was synthesized in which instead of the methyl groups two benzene rings were condensed to the chromophoric system in order to extend its conjugation. This derivative showed lowered fluorescence and concomitantly enhanced sensitized production of active oxygen species as compared to hypericin. However, in contrast to intuition its long wavelength band remained unshifted in comparison to its parent compound hypericin. Geometry and absorption properties were also investigated by means of semiempirical calculations.

  DOI：

  10.1007/s007060270009