8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione | 1160228-26-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione
• 英文别名: 2,2,10-trimethyl-6-phenyl-3H-pyrano[3,2-g]chromene-4,8-dione
• CAS: 1160228-26-1
• 化学式: C₂₁H₁₈O₄
• 分子量: 334.372
• InChiKey: WANYHDYGXGPPHD-UHFFFAOYSA-N

物化性质

• 熔点：
  185-186 °C(Solvent: Acetonitrile)
• 沸点：
  540.9±50.0 °C(predicted)
• 密度：
  1.246±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：
  25
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione 、 4-苯基-3-硫代氨基脲 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以61%的产率得到8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione 6-(N-phenylthiosemicarbazone)
  参考文献：
  名称：

  Synthesis and NMR spectroscopy investigations of functionalized 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-diones and their spirothiadiazole derivatives

  摘要：

  New functionalized derivatives of 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]-chromene-2,6-dione - analogues of the natural compound graveolone - possessing hydrazine, hydroxylamine, and thiosemicarbazide residues were synthesized and their reactions with acetic anhydride were studied. The structure of the obtained compounds was confirmed by NMR spectroscopy.

  DOI：

  10.1007/s00706-008-0934-0
• 作为产物：
  描述：

  6-acetyl-7-hydroxy-8-methyl-4-phenylchromen-2-one 、 丙酮 在 四氢吡咯 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以56%的产率得到8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione
  参考文献：
  名称：

  Synthesis and NMR spectroscopy investigations of functionalized 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-diones and their spirothiadiazole derivatives

  摘要：

  New functionalized derivatives of 8,8,10-trimethyl-4-phenyl-7,8-dihydro-2H,6H-pyrano[3,2-g]-chromene-2,6-dione - analogues of the natural compound graveolone - possessing hydrazine, hydroxylamine, and thiosemicarbazide residues were synthesized and their reactions with acetic anhydride were studied. The structure of the obtained compounds was confirmed by NMR spectroscopy.

  DOI：

  10.1007/s00706-008-0934-0