| 1207377-08-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1207377-08-9
• 化学式: C₁₆H₁₄O₃
• 分子量: 254.285
• InChiKey: XBMFPRAXCOVTHO-UHFFFAOYSA-N

物化性质

• 熔点：
  191-193 °C
• 沸点：
  458.6±45.0 °C(predicted)
• 密度：
  1.236±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 一水合肼 、 potassium hydroxide 作用下， 以 水 、 二乙二醇 为溶剂， 反应 8.33h， 以63%的产率得到didehydroconicol
  参考文献：
  名称：

  Enantioselective Total Synthesis of (+)-Conicol via Cascade Three-Component Organocatalysis

  摘要：

  The first asymmetric total synthesis of (+)-conicol has been achieved via a key step reaction involving the organocatalytic domino oxa-Michael-Michael-Michael-aldol condensation of 2-((E)-2-nitrovinyl)benzene-1,4-diol and alpha,beta-unsaturated aldehydes. Structures of the three-component domino reaction adducts, 20 and 21, including their absolute configurations, were confirmed unambiguously by X-ray analysis. Through this work, the absolute configuration of (+)-conicol was thereby elucidated.

  DOI：

  10.1021/ol902840x
• 作为产物：
  描述：

  (6aS,9R,10R,10aS)-9-(dimethoxymethyl)-6,6-dimethyl-10-nitro-6a,9,10,10a-tetrahydrobenzo[c]chromen-2-ol 在 盐酸 作用下， 以 水 、 丙酮 为溶剂， 反应 0.33h， 以69%的产率得到
  参考文献：
  名称：

  Enantioselective Total Synthesis of (+)-Conicol via Cascade Three-Component Organocatalysis

  摘要：

  The first asymmetric total synthesis of (+)-conicol has been achieved via a key step reaction involving the organocatalytic domino oxa-Michael-Michael-Michael-aldol condensation of 2-((E)-2-nitrovinyl)benzene-1,4-diol and alpha,beta-unsaturated aldehydes. Structures of the three-component domino reaction adducts, 20 and 21, including their absolute configurations, were confirmed unambiguously by X-ray analysis. Through this work, the absolute configuration of (+)-conicol was thereby elucidated.

  DOI：

  10.1021/ol902840x