(R)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromene-3,7-dione | 287118-69-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (R)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromene-3,7-dione
• CAS: 287118-69-8
• 化学式: C₁₄H₁₂O₅
• 分子量: 260.246
• InChiKey: KLMKBEGAVRCMRU-ZDUSSCGKSA-N

物化性质

• 沸点：
  503.1±50.0 °C(Predicted)
• 密度：
  1.437±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 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：
  0.29
• 拓扑面积：
  76.74
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromene-3,7-dione 在 吡啶 、 氢氧化钾 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.5h， 生成 补骨脂素
  参考文献：
  名称：

  Coumarins from Ferulago capillaris and F. brachyloba

  摘要：

  Four new coumarins, (+)-senecioylprangol, (-)-3 '-senecioyloxymarmesin, (+)-3 '-hydroxyprantschimgin and (+)-2"-senecioyloxymarmesin, besides 12 known coumarins have been isolated from two Ferulago species. Their structures have been established by spectroscopic methods and partial synthesis. New synthetic 3'-oxocoumarins are also described. There is a remarkable difference in the contents of the most abundant coumarins found in the roots of both species: osthol and aurapten are specific to F. capillaris and F. brachyloba, respectively. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00524-5
• 作为产物：
  描述：

  异紫花前胡内酯 在 chromium(VI) oxide 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 3.0h， 以380 mg的产率得到(R)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromene-3,7-dione
  参考文献：
  名称：

  Coumarins from Ferulago capillaris and F. brachyloba

  摘要：

  Four new coumarins, (+)-senecioylprangol, (-)-3 '-senecioyloxymarmesin, (+)-3 '-hydroxyprantschimgin and (+)-2"-senecioyloxymarmesin, besides 12 known coumarins have been isolated from two Ferulago species. Their structures have been established by spectroscopic methods and partial synthesis. New synthetic 3'-oxocoumarins are also described. There is a remarkable difference in the contents of the most abundant coumarins found in the roots of both species: osthol and aurapten are specific to F. capillaris and F. brachyloba, respectively. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00524-5