3,4-dihydro-3-methyl-2-methoxy-4-oxo-5-propionyl-6-(2,3,4-tri-O-acetyl-β-D-xylopyranosylamino)pyrimidine | 135080-69-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-dihydro-3-methyl-2-methoxy-4-oxo-5-propionyl-6-(2,3,4-tri-O-acetyl-β-D-xylopyranosylamino)pyrimidine
• 英文别名: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoylpyrimidin-4-yl)amino]oxan-3-yl] acetate
• CAS: 135080-69-2
• 化学式: C₂₀H₂₇N₃O₁₀
• 分子量: 469.448
• InChiKey: XUXGNOWOQUJERY-NOVWEMISSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  159
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-methoxy-3-methyl-6-(2,3,4-tri-O-acetyl-β-D-xylopyranosylamino)pyrimidin-4-(3H)-one 、 丙酸酐 在 高氯酸 作用下， 以16%的产率得到3,4-dihydro-3-methyl-2-methoxy-4-oxo-5-propionyl-6-(2,3,4-tri-O-acetyl-β-D-xylopyranosylamino)pyrimidine
  参考文献：
  名称：

  Reaction of 6-glycopyranosylaminopyrimidin-4-ones with malonic acids. Synthesis of 8-glycopyranosylpyrido[2,3-d]pyrimidin-4-one derivatives

  摘要：

  Reactions of 6-glycopyranosylaminopyrimidin-4-ones 1 a-d with malonic, methyl malonic and ethyl malonic acids are discussed in this paper. These reactions have been carried out in acetic anhydride at 100-degrees-C affording the 8-glycopyranosylpyrido[2,3-d]pyrimidin-4-ones 2 a-d, 3 c-d and the 5-acyl-6-glycopyranosylaminopyrimidin-6-ones 4 a-d, 5 a-d.

  DOI：

  10.1007/bf00810825