3-Methyl-5-(phenyl-hydrazonomethyl)-6-(thiophen-2-ylmethyl-p-tolyl-amino)-1H-pyrimidine-2,4-dione | 182358-33-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Methyl-5-(phenyl-hydrazonomethyl)-6-(thiophen-2-ylmethyl-p-tolyl-amino)-1H-pyrimidine-2,4-dione
• CAS: 182358-33-4
• 化学式: C₂₄H₂₃N₅O₂S
• 分子量: 445.545
• InChiKey: SYNLEFMFSIIPFX-UHFFFAOYSA-N

物化性质

• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  82.49
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-Methyl-5-(phenyl-hydrazonomethyl)-6-(thiophen-2-ylmethyl-p-tolyl-amino)-1H-pyrimidine-2,4-dione 在 lead(IV) acetate 作用下， 以 乙腈 为溶剂， 以35%的产率得到7-Methyl-3-(4-methylphenyl)-12-phenyl-16-thia-3,5,7,11,12-pentazatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),10,14-triene-6,8-dione
  参考文献：
  名称：

  Studies on pyrimidine-annelated heterocycles: synthesis of novel pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidines by intramolecular 1,3-dipolar cycloadditions

  摘要：

  Suitably functionalised 1,3-substituted 6-chloro-1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carbaldehydes 3a-1 cyclise intramolecularly to yield novel furo- and thieno-[2 '',3 '':4',5']pyrazolo[3',4':4,5]pyrido-[2,3-d]pyrimidines 8a-1 in fair to good yields together with the pyrazolopyrimidines 7 as side products. Remarkably, this synthesis not only left the pyrimidine nucleus unaffected but also gave no dimer formation.

  DOI：

  10.1039/p19960001999
• 作为产物：
  描述：

  N-((thiophene-2-yl)methyl)-4-methylbenzeneamine 在 sodium acetate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 3-Methyl-5-(phenyl-hydrazonomethyl)-6-(thiophen-2-ylmethyl-p-tolyl-amino)-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Studies on pyrimidine-annelated heterocycles: synthesis of novel pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidines by intramolecular 1,3-dipolar cycloadditions

  摘要：

  Suitably functionalised 1,3-substituted 6-chloro-1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carbaldehydes 3a-1 cyclise intramolecularly to yield novel furo- and thieno-[2 '',3 '':4',5']pyrazolo[3',4':4,5]pyrido-[2,3-d]pyrimidines 8a-1 in fair to good yields together with the pyrazolopyrimidines 7 as side products. Remarkably, this synthesis not only left the pyrimidine nucleus unaffected but also gave no dimer formation.

  DOI：

  10.1039/p19960001999