| 1062228-09-4

• 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
• CAS: 1062228-09-4
• 化学式: C₂₄H₂₀N₃O
• 分子量: 366.442
• InChiKey: NAKBUGHOLWCGBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30.81
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  5-methyl-1,3-diphenyl-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one 、 硫酸二甲酯 生成
  参考文献：
  名称：

  Regioselective synthesis of 2,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-ones by the cyclization of 3-acyl-4-methoxy-1-methylquinolinones with hydrazines

  摘要：

  Reaction of 3-acyl-4-methoxy-1-methylquinolinones 2 and 5 with hydrazines has been investigated Under different experimental conditions. Compound 2 always gave rise selectively and exclusively to the regioisomeric 1,3-disubstituted- or 2,3-disubstituted-pyrazolo[4,3-c]quinolin-4(5H)one (compounds 3a,b or 4a,b, respectively), while reaction of 5 with N-methylhydrazine led to a mixture of pyrazoles 7a and 8a. With N-pheny1hydrazine, compounds 7b or 8b were regioselectively obtained. Compound 8a could be selectively synthesized working in solventless conditions. Structural elucidation of all products was independently achieved by NMR spectroscopy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.028