methyl 4-(3-methyl-8-oxo-7,10,11,12-tetrahydro-9H-benzo[b][1,7]phenanthrolin-7-yl)benzoate | 1246517-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 4-(3-methyl-8-oxo-7,10,11,12-tetrahydro-9H-benzo[b][1,7]phenanthrolin-7-yl)benzoate
• 英文别名: methyl 4-(3-methyl-8-oxo-9,10,11,12-tetrahydro-7H-benzo[b][1,7]phenanthrolin-7-yl)benzoate
• CAS: 1246517-75-8
• 化学式: C₂₅H₂₂N₂O₃
• 分子量: 398.461
• InChiKey: AMDZFGKMYCTBCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氨基喹哪啶 、 1,3-环己二酮 、 对甲酰基苯甲酸甲酯 以 正丁醇 为溶剂， 以73%的产率得到methyl 4-(3-methyl-8-oxo-7,10,11,12-tetrahydro-9H-benzo[b][1,7]phenanthrolin-7-yl)benzoate
  参考文献：
  名称：

  Synthesis of methyl-substituted 1,7-phenanthroline derivatives by condensation of 2-methylquinolin-5-amine with aromatic aldehydes and cyclic 1,3-diketones

  摘要：

  Previously unknown 7-aryl(hetaryl)-3-methyl-7,10,11,12-tetrahydro-9H-benzo[b][1,7]phenanthrolin-8-ones and their 10,10-dimethyl-substituted analogs were synthesized by three-component condensation of 2-methylquinolin-5-amine with aromatic aldehydes and cyclic beta-diketones (cyclohexane-1,3-dione and dimedone) in butyl alcohol.

  DOI：

  10.1134/s1070428010070195

文献信息

• Synthesis of methyl-substituted 1,7-phenanthroline derivatives by condensation of 2-methylquinolin-5-amine with aromatic aldehydes and cyclic 1,3-diketones
  作者：N. G. Kozlov、K. N. Gusak

  DOI：10.1134/s1070428010070195

  日期：2010.7

  Previously unknown 7-aryl(hetaryl)-3-methyl-7,10,11,12-tetrahydro-9H-benzo[b][1,7]phenanthrolin-8-ones and their 10,10-dimethyl-substituted analogs were synthesized by three-component condensation of 2-methylquinolin-5-amine with aromatic aldehydes and cyclic beta-diketones (cyclohexane-1,3-dione and dimedone) in butyl alcohol.