4-(4-methylphenyl)-3,4-dihydrobenzo[f]quinolin-2(1H)-one | 442865-72-7

• 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: 4-(4-methylphenyl)-3,4-dihydrobenzo[f]quinolin-2(1H)-one
• 英文别名: 1-(4-methylphenyl)-1,4-dihydrobenzo[f]quinolin-3(2H)-one；1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
• CAS: 442865-72-7
• 化学式: C₂₀H₁₇NO
• 分子量: 287.361
• InChiKey: KVVSPOKQLZPQAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 对甲基苯甲醛 、 2-萘胺 以 溶剂黄146 为溶剂， 反应 0.23h， 以82%的产率得到4-(4-methylphenyl)-3,4-dihydrobenzo[f]quinolin-2(1H)-one
  参考文献：
  名称：

  Highly Efficient Synthesis of 3,4-Dihydro-2(1H)-quinolinone Derivatives under Microwave Heating

  摘要：

  A sequential three-component reaction of aromatic aldehydes with aromatic amine, and Meldrum's acid in EtOH under microwave irradiation has been developed. In this one-pot reaction, a series of 3,4-dihydro-2(1H)-quinolinone derivatives were synthesized with high chemical yields. The present green synthesis shows several advantages including operational simplicity and fast reaction rate, which makes it a useful and attractive process for library generation for drug discovery.

  DOI：

  10.3987/com-12-12489