4-Hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-oxa-11-thia-naphthacen-6-one | 402564-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-Hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-oxa-11-thia-naphthacen-6-one
• CAS: 402564-33-4
• 化学式: C₁₉H₁₈O₄S
• 分子量: 342.416
• InChiKey: NGDMEIJWAGTKKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 4-Hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-oxa-11-thia-naphthacen-6-one 在 吡啶 作用下， 以95%的产率得到
  参考文献：
  名称：

  Synthesis, cytotoxic activity, NMR study and stereochemical effects of some new pyrano[3,2- b ]thioxanthen-6-ones and Pyrano[2,3- c ]thioxanthen-7-ones

  摘要：

  Some new substituted pyrano[3,2-b]thioxanthen-6-ones and pyrano[2,3-c]thioxanthen-7-ones were prepared and their cytotoxic activity was evaluated using acronycine as the reference compound. The conformation of the molecules was also investigated in an effort to correlate this parameter with the biological activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00130-4
• 作为产物：
  描述：

  5-Methoxy-2,2-dimethyl-2H,6H-pyran[3,2-b]thioxanthen-6-one 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 水 、 三正丁基氢锡 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 4-Hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-oxa-11-thia-naphthacen-6-one
  参考文献：
  名称：

  Synthesis, cytotoxic activity, NMR study and stereochemical effects of some new pyrano[3,2- b ]thioxanthen-6-ones and Pyrano[2,3- c ]thioxanthen-7-ones

  摘要：

  Some new substituted pyrano[3,2-b]thioxanthen-6-ones and pyrano[2,3-c]thioxanthen-7-ones were prepared and their cytotoxic activity was evaluated using acronycine as the reference compound. The conformation of the molecules was also investigated in an effort to correlate this parameter with the biological activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00130-4