4-(2-chlorophenyl)-3,7,7-trimethyl-1-phenyl-7,8-dihydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one | 1357783-47-1

• 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-(2-chlorophenyl)-3,7,7-trimethyl-1-phenyl-7,8-dihydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one
• 英文别名: 4-(2-Chlorophenyl)-3,7,7-trimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
• CAS: 1357783-47-1
• 化学式: C₂₅H₂₂ClN₃O
• 分子量: 415.922
• InChiKey: WCKFEHXXCOFOTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-氨基-3-甲基-1-苯基吡唑 、 2-氯苯甲醛 、 5,5-二甲基-1,3-环己二酮 在 sodium dodecyl sulfate 作用下， 以 水 为溶剂， 反应 16.0h， 以86%的产率得到4-(2-chlorophenyl)-3,7,7-trimethyl-1-phenyl-7,8-dihydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one
  参考文献：
  名称：

  Three-component one-pot synthesis of pyrazolo[3,4-b]quinolin-5(6H)-one derivatives in aqueous media

  摘要：

  AbstractA series of 4‐aryl‐3,7,7‐trimethyl‐1‐phenyl‐7,8‐dihydro‐1H‐pyrazolo[3,4‐b]quinolin‐ 5(6H)‐ones were synthesized by the three‐component reaction of aromatic aldehydes, 3‐methyl‐1‐phenyl‐1H‐pyrazol‐5‐amine, and 5,5‐dimethyl‐1,3‐cyclohexandione in the presence of sodium 1‐dodecanesulfonate in aqueous medium. Compared to the previous methods, this new protocol has the advantages of convenient operation, higher yields, lower cost, and environmentally benign procedure. J. Heterocyclic Chem., (2012).

  DOI：

  10.1002/jhet.781

文献信息

• Three-component one-pot synthesis of pyrazolo[3,4-b]quinolin-5(6H)-one derivatives in aqueous media
  作者：Hui-Yan Wang、Da-Qing Shi

  DOI：10.1002/jhet.781

  日期：2012.1

  AbstractA series of 4‐aryl‐3,7,7‐trimethyl‐1‐phenyl‐7,8‐dihydro‐1H‐pyrazolo[3,4‐b]quinolin‐ 5(6H)‐ones were synthesized by the three‐component reaction of aromatic aldehydes, 3‐methyl‐1‐phenyl‐1H‐pyrazol‐5‐amine, and 5,5‐dimethyl‐1,3‐cyclohexandione in the presence of sodium 1‐dodecanesulfonate in aqueous medium. Compared to the previous methods, this new protocol has the advantages of convenient operation, higher yields, lower cost, and environmentally benign procedure. J. Heterocyclic Chem., (2012).