1,3-bis[2-hydroxy-3-(3-methyl-5-oxo-2,5-dihydro-1-pyrazolyl)propyl]-6-methyluracil | 474808-63-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,3-bis[2-hydroxy-3-(3-methyl-5-oxo-2,5-dihydro-1-pyrazolyl)propyl]-6-methyluracil
• 英文别名: 1,3-bis[2-hydroxy-3-(3-methyl-2H-5-pyrazolon-1-yl)propyl]-6-methyluracil；1,3-bis[2-hydroxy-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propyl]-6-methylpyrimidine-2,4-dione
• CAS: 474808-63-4
• 化学式: C₁₉H₂₆N₆O₆
• 分子量: 434.452
• InChiKey: NYLLILCLEOBJBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,3-bis(2-hydroxy-3-chloropropyl)uracil 、 1,3-bis[2-hydroxy-3-(3-methyl-5-oxo-2,5-dihydro-1-pyrazolyl)propyl]-6-methyluracil 在 四丁基溴化铵 、 potassium carbonate 、 盐酸 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 0.33h， 以3.1 g的产率得到3,11,19,27-tetrahydroxy-8,22,30-trimethyl-1,5,9,13,17,21,25,29-octaazapentacyclo[27.3.1.1^13,17.0^5,90^21,25]tetratriaconta-7,15,22,30-tetraene-6,14,24,32,33,34-hexaone
  参考文献：
  名称：

  摘要：

  A reaction was studied of previously unknown 1,3-bis(2-hydroxy-3-chloropropyl)uracil, 1,3-bis(2-hydroxy-3-chloropropyl)-6-methyluracil, and 1,3-bis(2-hydroxy-3-chloropropyl)-5-fluorouracil with 1,3-bis[3-(3-methyl-2H-5-pyrazolon-1-yl)-2-hydroxypropyl]-6-methyluracil.

  DOI：

  10.1023/a:1025500621947
• 作为产物：
  描述：

  1,3-bis(2-hydroxy-3-chloropropyl)-6-methyluracil 在 sodium methylate 、 potassium carbonate 、 硫酸肼 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1,3-bis[2-hydroxy-3-(3-methyl-5-oxo-2,5-dihydro-1-pyrazolyl)propyl]-6-methyluracil
  参考文献：
  名称：

  摘要：

  A reaction was studied of newly synthesized 1,3-bis(2-hydroxy-3-chloropropyl)uracil and 1,3-bis(2-hydroxy-3-chloropropyl)-6-methyluracil with hydrazine hydrate followed by treating the compounds formed with ethyl acetoacetate. The hydrazones obtained cyclized into pyrazolones in the presence of sodium methylate.

  DOI：

  10.1023/a:1015542422938

文献信息

• ——
  作者：V. P. Krivonogov、G. G. Kozlova、G. A. Sivkova、L. V. Spirikhin、I. B. Abdrakhmanov、Yu. I. Murinov、G. A. Tolstikov

  DOI：10.1023/a:1025500621947

  日期：——

  A reaction was studied of previously unknown 1,3-bis(2-hydroxy-3-chloropropyl)uracil, 1,3-bis(2-hydroxy-3-chloropropyl)-6-methyluracil, and 1,3-bis(2-hydroxy-3-chloropropyl)-5-fluorouracil with 1,3-bis[3-(3-methyl-2H-5-pyrazolon-1-yl)-2-hydroxypropyl]-6-methyluracil.
• ——
  作者：V. P. Krivonogov、G. A. Sivkova、I. B. Abdrakhmanov、G. G. Kozlova、L. V. Spirikhin、N. G. Afzaletdinova

  DOI：10.1023/a:1015542422938

  日期：——

  A reaction was studied of newly synthesized 1,3-bis(2-hydroxy-3-chloropropyl)uracil and 1,3-bis(2-hydroxy-3-chloropropyl)-6-methyluracil with hydrazine hydrate followed by treating the compounds formed with ethyl acetoacetate. The hydrazones obtained cyclized into pyrazolones in the presence of sodium methylate.