5,12-Dihydroxy-2,2-dimethyl-2H-1-oxa-naphthacene-6,11-dione | 345969-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 5,12-Dihydroxy-2,2-dimethyl-2H-1-oxa-naphthacene-6,11-dione
• CAS: 345969-42-8
• 化学式: C₁₉H₁₄O₅
• 分子量: 322.317
• InChiKey: ACDSYTOZKZORHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  24.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  83.83
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5,12-Dihydroxy-2,2-dimethyl-2H-1-oxa-naphthacene-6,11-dione 在 potassium carbonate 作用下， 以 吡啶 、 丙酮 为溶剂， 反应 8.0h， 生成 2,2-dimethyl-12-[N-[2-(dimethylamino)ethyl]amino]-5-tosyloxy-2H-anthra[2,3-b]pyran-6,11-dione
  参考文献：
  名称：

  2,2-Dimethyl-2H-anthra[2,3-b]pyran-6,11-diones: a new class of cytotoxic compounds

  摘要：

  The synthesis and cytotoxic activity of some new 2,2-dimethyl-2H anthra[2,3-b]pyran-6,11-diones is described. Certain compounds possess interesting activity against murine leukemia L-1210 cells. Relationships between the biological activity and the pyrano-ring conformations are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00278-9
• 作为产物：
  描述：

  3-甲基-2-丁烯醛 、 羟基茜草素 以 吡啶 为溶剂， 反应 5.0h， 以40%的产率得到5,12-Dihydroxy-2,2-dimethyl-2H-1-oxa-naphthacene-6,11-dione
  参考文献：
  名称：

  2,2-Dimethyl-2H-anthra[2,3-b]pyran-6,11-diones: a new class of cytotoxic compounds

  摘要：

  The synthesis and cytotoxic activity of some new 2,2-dimethyl-2H anthra[2,3-b]pyran-6,11-diones is described. Certain compounds possess interesting activity against murine leukemia L-1210 cells. Relationships between the biological activity and the pyrano-ring conformations are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00278-9