4,6-Dimethyl-9-(4-methylphenyl)-2,4,6,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11(15),12,16-pentaene-5,7-dione | 1219459-38-7

• 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: 4,6-Dimethyl-9-(4-methylphenyl)-2,4,6,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11(15),12,16-pentaene-5,7-dione
• CAS: 1219459-38-7
• 化学式: C₂₁H₁₉N₅O₂
• 分子量: 373.414
• InChiKey: RCAVKNJKKQXFIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 、 5-氨基吲唑 、 对甲基苯甲醛 在 溶剂黄146 作用下， 以 乙二醇 为溶剂， 以93%的产率得到4,6-Dimethyl-9-(4-methylphenyl)-2,4,6,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11(15),12,16-pentaene-5,7-dione
  参考文献：
  名称：

  One-Step Efficient Synthesis of Pyrazolo[3,4-f]quinoline Derivatives Under Microwave Irradiation

  摘要：

  A series of new pyrazolo[3,4-f]quinoline derivatives were synthesized by multicomponent reactions of equimolar amounts of aromatic aldehydes 1, barbituric acids 2 (barbituric acid or 1,3-dimethyl barbituric acid), and 5-aminoindazole 3 in mixed solvent of glacial acetic acid and ethylene glycol (2:1, v/v) without catalyst under microwave irradiation. This one-pot protocol has the advantage of good yields (91-94%), simple workup procedure, and short reaction times (5-6 min).

  DOI：

  10.1080/00397910903032317

文献信息

• One-Step Efficient Synthesis of Pyrazolo[3,4-<i>f</i>]quinoline Derivatives Under Microwave Irradiation
  作者：Shu-Jiang Tu、Shan-Shan Wu、Xiao-Hong Zhang、Zheng-Guo Han、Xu-Dong Cao、Wen-Juan Hao

  DOI：10.1080/00397910903032317

  日期：2010.3.12

  A series of new pyrazolo[3,4-f]quinoline derivatives were synthesized by multicomponent reactions of equimolar amounts of aromatic aldehydes 1, barbituric acids 2 (barbituric acid or 1,3-dimethyl barbituric acid), and 5-aminoindazole 3 in mixed solvent of glacial acetic acid and ethylene glycol (2:1, v/v) without catalyst under microwave irradiation. This one-pot protocol has the advantage of good yields (91-94%), simple workup procedure, and short reaction times (5-6 min).