5-Methyl-2-morpholinopyrimidin-4-one | 57465-72-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-Methyl-2-morpholinopyrimidin-4-one
• 英文别名: 5-methyl-2-morpholin-4-yl-3H-pyrimidin-4-one；5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
• CAS: 57465-72-2
• 化学式: C₉H₁₃N₃O₂
• 分子量: 195.221
• InChiKey: VJXABEQEPXZWJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Methyl-2-morpholinopyrimidin-4-one 在 硫酸氢铵 、 三氟甲磺酸三甲基硅酯 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-methyl-2-morpholin-4-yl-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
  参考文献：
  名称：

  Synthesis of 5-methylisocytidine derivatives

  摘要：

  N-2-Substituted 5-methylisocytidine derivatives were synthesized from S-2-methyl-2-thiothymine either by direct substitution of the methylthio group by an amino group and subsequent condensation with 1,2,3,5-tetra-O-acetyl-beta-D-ribofuranose to give the acetylated nucleoside or by the opposite sequence first preparing an acetylated S,S-2-dimethyl-2-thiouridine followed by treatment with the appropriate amine.

  DOI：

  10.1007/bf00810888
• 作为产物：
  描述：

  吗啉 、 2-(甲基硫代)-5-甲基嘧啶-4(1H)-酮 反应 5.0h， 以55%的产率得到5-Methyl-2-morpholinopyrimidin-4-one
  参考文献：
  名称：

  Synthesis of 5-methylisocytidine derivatives

  摘要：

  N-2-Substituted 5-methylisocytidine derivatives were synthesized from S-2-methyl-2-thiothymine either by direct substitution of the methylthio group by an amino group and subsequent condensation with 1,2,3,5-tetra-O-acetyl-beta-D-ribofuranose to give the acetylated nucleoside or by the opposite sequence first preparing an acetylated S,S-2-dimethyl-2-thiouridine followed by treatment with the appropriate amine.

  DOI：

  10.1007/bf00810888

文献信息

• Synthesis of 5-methylisocytidine derivatives
  作者：A. A. -H. Abdel-Rahman、E. B. Pedersen、C. Nielsen

  DOI：10.1007/bf00810888

  日期：1996.4

  N-2-Substituted 5-methylisocytidine derivatives were synthesized from S-2-methyl-2-thiothymine either by direct substitution of the methylthio group by an amino group and subsequent condensation with 1,2,3,5-tetra-O-acetyl-beta-D-ribofuranose to give the acetylated nucleoside or by the opposite sequence first preparing an acetylated S,S-2-dimethyl-2-thiouridine followed by treatment with the appropriate amine.

表征谱图