3,4,7,8-tetrahydro-5-hydroxy-3,6-dimethyl-2-methylthio-4,7-dioxo-8-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)pyrido<2,3-d>pyrimidine | 135080-67-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,7,8-tetrahydro-5-hydroxy-3,6-dimethyl-2-methylthio-4,7-dioxo-8-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)pyrido<2,3-d>pyrimidine
• 英文别名: 3,4,7,8-tetrahydro-5-hydroxy-3,6-dimethyl-2-methylthio-4,7-dioxo-8-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)pyrido[2,3-d]pyrimidine；[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(5-hydroxy-3,6-dimethyl-2-methylsulfanyl-4,7-dioxopyrido[2,3-d]pyrimidin-8-yl)oxan-3-yl] acetate
• CAS: 135080-67-0
• 化学式: C₂₁H₂₅N₃O₁₀S
• 分子量: 511.51
• InChiKey: JJZKTUIJKAGXHH-NXOXCILZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  187
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  甲基丙二酸 、 3-methyl-2-methylthio-6-(tri-O-acetyl-β-D-xylopyranosylamino)pyrimidin-4(3H)-one 在 乙酸酐 作用下， 反应 0.5h， 以85%的产率得到3,4,7,8-tetrahydro-5-hydroxy-3,6-dimethyl-2-methylthio-4,7-dioxo-8-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)pyrido<2,3-d>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