7H-Furo(3,2-g)(1)benzopyran-7-one, 6,6'-(phenylmethylene)bis(5-hydroxy-4,9-dimethoxy- | 119560-29-1

• 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: 7H-Furo(3,2-g)(1)benzopyran-7-one, 6,6'-(phenylmethylene)bis(5-hydroxy-4,9-dimethoxy-
• 英文别名: 5-hydroxy-6-[(5-hydroxy-4,9-dimethoxy-7-oxofuro[3,2-g]chromen-6-yl)-phenylmethyl]-4,9-dimethoxyfuro[3,2-g]chromen-7-one
• CAS: 119560-29-1
• 化学式: C₃₃H₂₄O₁₂
• 分子量: 612.546
• InChiKey: GAHPGOUTQPREJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  156
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-hydroxyisopimpinellin 、 苯甲醛 以 乙醇 为溶剂， 反应 5.0h， 以55%的产率得到7H-Furo(3,2-g)(1)benzopyran-7-one, 6,6'-(phenylmethylene)bis(5-hydroxy-4,9-dimethoxy-
  参考文献：
  名称：

  Synthesis and spectroscopic investigation of some dimeric coumarin and furanocoumarin models

  摘要：

  The synthesis of some dimeric coumarin and furanocoumarin models and their structure elucidation by H-1 NMR, C-13 NMR, and mass spectroscopy is presented. In the presence of moisture some aldehydes are accompanied by their hydrates. Methoxy signal doubling in the presence of a chiral lanthanide shift reagent proves the dimeric nature of compound 8. In the mass spectra, heterolytic cleavage of the O-C linkage was noticed which is a ran fragmentation in the case of aromatic ethers.

  DOI：

  10.1007/bf00807602