2,4-diphenyl-7,8-benzo-5,6-dihydrochromene | 1140588-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2,4-diphenyl-7,8-benzo-5,6-dihydrochromene
• CAS: 1140588-53-9
• 化学式: C₂₅H₂₀O
• 分子量: 336.433
• InChiKey: MYFAEBHETZPILL-UHFFFAOYSA-N

物化性质

• 沸点：
  550.6±50.0 °C(predicted)
• 密度：
  1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1,2,3,4-tetrahydronaphthalen-1-one 在 三氟化硼乙醚 、 氧气 作用下， 以 甲苯 为溶剂， 以40%的产率得到2-Phenyl-4-p-methoxyphenyl-7,8-benzo-5,6-dihydrochromylium fluoroborate
  参考文献：
  名称：

  Electronic absorption spectra of pyrylium and benzodihydrochromenylium salts

  摘要：

  The electronic absorption spectra of benzodihydrochromenylium, tetrahydrochromenylium, and dichloropyrylium salts were studied for the first time. It was noticed that intramolecular charge transfer takes place mainly between the substituent at position 4 of the pyrylium ring and the pi-system of the cation as a whole, while the bathochromic shift depends substantially on the geometry of the molecule. It was shown that the chlorine atoms have an effect on the form of the spectra when they are introduced into the ring of the pyrylium cation and into the aryl substituents.

  DOI：

  10.1007/s10593-008-0134-1