Toluene-4-sulfonic acid 5-(2-dimethylamino-ethylamino)-2,2-dimethyl-6,11-dioxo-6,11-dihydro-2H-1-oxa-naphthacen-12-yl ester | 345969-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Toluene-4-sulfonic acid 5-(2-dimethylamino-ethylamino)-2,2-dimethyl-6,11-dioxo-6,11-dihydro-2H-1-oxa-naphthacen-12-yl ester
• CAS: 345969-52-0
• 化学式: C₃₀H₃₀N₂O₆S
• 分子量: 546.644
• InChiKey: JJTZTJFHOFLRHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  102.01
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  羟乙基乙二胺 、 Toluene-4-sulfonic acid 5-(2-dimethylamino-ethylamino)-2,2-dimethyl-6,11-dioxo-6,11-dihydro-2H-1-oxa-naphthacen-12-yl ester 以 吡啶 为溶剂， 反应 24.0h， 以69%的产率得到5-[2-(Dimethylamino)ethylamino]-12-[2-(2-hydroxyethylamino)ethylamino]-2,2-dimethylnaphtho[2,3-g]chromene-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：

  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 Toluene-4-sulfonic acid 5-(2-dimethylamino-ethylamino)-2,2-dimethyl-6,11-dioxo-6,11-dihydro-2H-1-oxa-naphthacen-12-yl ester
  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