Acetic acid 5-chloro-12-hydroxy-10-methoxy-8-methyl-6,11-dioxo-6,11-dihydro-naphthacen-1-yl ester | 152901-86-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: Acetic acid 5-chloro-12-hydroxy-10-methoxy-8-methyl-6,11-dioxo-6,11-dihydro-naphthacen-1-yl ester
• 英文别名: (5-Chloro-12-hydroxy-10-methoxy-8-methyl-6,11-dioxotetracen-1-yl) acetate
• CAS: 152901-86-5
• 化学式: C₂₂H₁₅ClO₆
• 分子量: 410.81
• InChiKey: XCWGVKOQCDXXQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Acetic acid 5-chloro-12-hydroxy-10-methoxy-8-methyl-6,11-dioxo-6,11-dihydro-naphthacen-1-yl ester 在 platinum(IV) oxide 氢气 、 三溴化硼 、 四氯苯醌 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1,6,10-trihydroxy-8-methylnaphthacene-5,12-dione
  参考文献：
  名称：

  Synthesis of naphthacenequinones by cycloaddition and deoxygenation methodology: Synthesis of SS-228R

  摘要：

  The tetracycle SS-228R (2) has been synthesised by a short regioselective sequence based on cycloaddition and novel deoxygenation of an intermediate naphthacenequinone.

  DOI：

  10.1016/s0040-4039(00)61742-2
• 作为产物：
  描述：

  Acetic acid 5-chloro-10,12-dihydroxy-8-methyl-6,11-dioxo-6,11-dihydro-naphthacen-1-yl ester 、 碘甲烷 在 silver(l) oxide 作用下， 以37%的产率得到Acetic acid 5-chloro-12-hydroxy-10-methoxy-8-methyl-6,11-dioxo-6,11-dihydro-naphthacen-1-yl ester
  参考文献：
  名称：

  Synthesis of naphthacenequinones by cycloaddition and deoxygenation methodology: Synthesis of SS-228R

  摘要：

  The tetracycle SS-228R (2) has been synthesised by a short regioselective sequence based on cycloaddition and novel deoxygenation of an intermediate naphthacenequinone.

  DOI：

  10.1016/s0040-4039(00)61742-2