5-(4-hydroxyphenyl)-8,8-dimethyl-2-mercapto-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione

• 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: 5-(4-hydroxyphenyl)-8,8-dimethyl-2-mercapto-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
• 英文别名: 5-(4-Hydroxyphenyl)-8,8-dimethyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-B]quinoline-4,6-dione；5-(4-hydroxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
• 化学式: C₁₉H₁₉N₃O₃S
• 分子量: 369.444
• InChiKey: DNOHXBVKVYTRHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 对羟基苯甲醛 、 6-氨基-2-硫脲嘧啶 在 苄基三乙基氯化铵 作用下， 以 水 为溶剂， 以72%的产率得到5-(4-hydroxyphenyl)-8,8-dimethyl-2-mercapto-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
  参考文献：
  名称：

  Three-Component One-Pot Synthesis of New 2,5,6,7- and 2,5,8,10-Substituted Pyrimido[4,5-b]quinoline-4,6-diones and -2,4,6-Triones

  摘要：

  A series of new pyrimido[4,5-b]quinoline derivatives was synthesized by three-component cyclocondensation of 2-R-1-6-aminopyrimidine-4-ones, 5,5-dimethylcyclohexane-1,3-dione (dimedone), and aromatic or heterocyclic aldehydes in a water medium in the presence of triethylbenzylammonium chloride. The replacement of the primary amino group in the position 6 of the key 6-aminopyrimidin-4-one with the secondary amino group led to the formation of 10-substituted analogs of pyrimido[4,5-b]quinolines which are of interest for biological screening.

  DOI：

  10.1134/s1070363218060117