(3S,4S)-3-(2-fluoropropan-2-yl)-6-nitro-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene | 1013098-82-2

• 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: (3S,4S)-3-(2-fluoropropan-2-yl)-6-nitro-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene
• CAS: 1013098-82-2
• 化学式: C₂₀H₁₈FNO₃
• 分子量: 339.366
• InChiKey: YLVFPPLAVDFKKO-FUHWJXTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1S)-(-)-1-{2-[(3-methylbut-2-en-1-yl)oxy]5-nitrophenyl}-3-phenylprop-2-yn-1-ol 在 dicobalt octacarbonyl 、 BF₃(OEt)2 、 ammonium cerium(IV) nitrate 作用下， 生成 (3S,4S)-3-(2-fluoropropan-2-yl)-6-nitro-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene
  参考文献：
  名称：

  The synthesis and biological evaluation of a range of novel functionalised benzopyrans as potential potassium channel activators

  摘要：

  A range of novel benzopyrans have been synthesised and biologically evaluated for K-ATP channel activity employing cromakalim 1 as a benchmark K-ATP channel opener. Although the compounds that were evaluated demonstrated a reduced ability to relax phenylephrine stimulated rat thoracic tissue, we provide evidence that benzopyrans 7a-h may be operating via an alternative mechanism than ATP-sensitive K+ channel activity. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.135