2-acetyl-3,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one | 309280-87-3

• 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: 2-acetyl-3,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one
• 英文别名: 2-acetyl-3,5,9-trimethylfuro[3,2-g]chromen-7-one
• CAS: 309280-87-3
• 化学式: C₁₆H₁₄O₄
• mdl: MFCD01820420
• 分子量: 270.285
• InChiKey: JXPOZBDSGJRCGG-UHFFFAOYSA-N

物化性质

• 沸点：
  456.5±45.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-acetyl-3,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one 在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 以92%的产率得到2-acetyl-3,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one ketoxime
  参考文献：
  名称：

  Dependence of Fluorescence Properties of Compounds from Psoralen, Angelicin, and Carbazole Series on the Character of Their Terminal Substituents

  摘要：

  Absorption, luminescence excitation and emission spectra of nine compounds from 4,8,4'-tri-methylpsoralen, 4,4'-dimethylangelicin, and 1,2,3,4-tetrahydrocarbazole series with various terminal substituents were studied in water and 2-propanol. Proceeding from the data obtained in the present and also some previous studies we have formulated the main rules concerning a general mechanism of changes in the fluorescence characteristics of DNA-specific dyes depending on their chemical structure, substrate properties, and measurement medium.

  DOI：

  10.1023/b:rujo.0000003169.96393.1d
• 作为产物：
  描述：

  6-Acetyl-7-hydroxy-4,8-dimethylcoumarin 、 一氯丙酮 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以56%的产率得到2-acetyl-3,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one
  参考文献：
  名称：

  Dependence of Fluorescence Properties of Compounds from Psoralen, Angelicin, and Carbazole Series on the Character of Their Terminal Substituents

  摘要：

  Absorption, luminescence excitation and emission spectra of nine compounds from 4,8,4'-tri-methylpsoralen, 4,4'-dimethylangelicin, and 1,2,3,4-tetrahydrocarbazole series with various terminal substituents were studied in water and 2-propanol. Proceeding from the data obtained in the present and also some previous studies we have formulated the main rules concerning a general mechanism of changes in the fluorescence characteristics of DNA-specific dyes depending on their chemical structure, substrate properties, and measurement medium.

  DOI：

  10.1023/b:rujo.0000003169.96393.1d