3,10,12-Trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydro-naphthacene-2-carboxylic acid methyl ester | 104535-18-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 3,10,12-Trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydro-naphthacene-2-carboxylic acid methyl ester
• 英文别名: Tetracenomycin B2；methyl 3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxotetracene-2-carboxylate
• CAS: 104535-18-4
• 化学式: C₂₂H₁₆O₈
• 分子量: 408.364
• InChiKey: IPQJRJBZGLDTMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 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：
  130
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (Z)-(1,3-dimethoxybuta-1,3-dienyloxy)trimethylsilane 、 3-Acetoxy-9-hydroxy-1-methyl-5,8-dioxo-5,8-dihydro-anthracene-2-carboxylic acid methyl ester 生成 3,10,12-Trihydroxy-8-methoxy-1-methyl-6,11-dioxo-6,11-dihydro-naphthacene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis of tetracenomycins

  摘要：

  Tetracenomycins D, A2, B1 and B2 (2)-(5) have been synthesised for the first time, by an efficient, regioselective sequence based on cycloaddition methodology; the ambiguity that existed for tetracenomycins B1 and B2 has thereby been resolved in favour of structures (4a) and (5b) respectively.

  DOI：

  10.1016/s0040-4039(00)61155-3

文献信息

• Synthesis of tetracenomycins
  作者：Donald W. Cameron、Pauline J. de Bruyn

  DOI：10.1016/s0040-4039(00)61155-3

  日期：1992.9

  Tetracenomycins D, A2, B1 and B2 (2)-(5) have been synthesised for the first time, by an efficient, regioselective sequence based on cycloaddition methodology; the ambiguity that existed for tetracenomycins B1 and B2 has thereby been resolved in favour of structures (4a) and (5b) respectively.