1-hydroxy-2-[[2-oxo-3-(triphenylphosphoranylidene)-cyclobutyl]methyl]-9H-xanthen-9-one | 1380482-82-5

• 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: 1-hydroxy-2-[[2-oxo-3-(triphenylphosphoranylidene)-cyclobutyl]methyl]-9H-xanthen-9-one
• 英文别名: 1-Hydroxy-2-[[2-oxo-3-(triphenylphosphoranylidene)cyclobutyl]methyl]-9 h-xanthen-9-one；1-hydroxy-2-[[2-oxo-3-(triphenyl-λ5-phosphanylidene)cyclobutyl]methyl]xanthen-9-one
• CAS: 1380482-82-5
• 化学式: C₃₆H₂₇O₄P
• 分子量: 554.582
• InChiKey: LPLFJFDAZLVHQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-Hydroxy-2-allyl-xanthon 、 (三苯基膦烯)乙烯酮 以 甲苯 为溶剂， 反应 20.0h， 以65%的产率得到1-hydroxy-2-[[2-oxo-3-(triphenylphosphoranylidene)-cyclobutyl]methyl]-9H-xanthen-9-one
  参考文献：
  名称：

  Chemistry of phosphorus ylides 32: synthesis of phosphoranylidene-pyrano- and -cyclobutyl-xanthenones with potential antitumor activity

  摘要：

  The reaction of active phosphacumulenes with xanthenones and anthrone yields xanthene(anthracene)- and/or phosphoranylidene xanthene(anthracene)- depending upon the nature of reactants and reaction conditions. Pertinent reaction mechanisms were considered and compatible spectroscopic measurements were recorded for all new compounds. The cytotoxic activity of some new products was evaluated against human cervical and breast carcinoma cell lines. Certain tested compounds showed promising results.

  DOI：

  10.1007/s00706-011-0683-3