3-methyl-2,3,5,6-tetrahydro-oxazolo[3,2-a]pyrimidin-7-one | 52883-63-3

• 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: 3-methyl-2,3,5,6-tetrahydro-oxazolo[3,2-a]pyrimidin-7-one
• 英文别名: 3-Methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one；3-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
• CAS: 52883-63-3
• 化学式: C₇H₁₀N₂O₂
• 分子量: 154.169
• InChiKey: MEMKLUHWQNBAST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-Methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one 在 Pd-BaSO₄ 氢气 作用下， 以 甲醇 为溶剂， 生成 3-methyl-2,3,5,6-tetrahydro-oxazolo[3,2-a]pyrimidin-7-one 、 1-isopropyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  An Efficient Synthesis of Pyrimidines from β-Amino Alcohols

  摘要：

  [GRAPHICS]Pyrimidinones 3 were chemoselectively reduced by using metal-catalyzed hydrogenation and stereoselectively substituted by various nucleophiles. Starting from beta-amino alcohols 1, the overall process allows efficient access to substituted pyrimidines 4 and 6.

  DOI：

  10.1021/ol991385x

文献信息

• Kampe,K.-D., Justus Liebigs Annalen der Chemie, 1974, p. 593 - 607
  作者：Kampe,K.-D.

  DOI：——

  日期：——
• An Efficient Synthesis of Pyrimidines from β-Amino Alcohols
  作者：Claude Agami、Luc Dechoux、Mohand Melaimi

  DOI：10.1021/ol991385x

  日期：2000.3.1

  [GRAPHICS]Pyrimidinones 3 were chemoselectively reduced by using metal-catalyzed hydrogenation and stereoselectively substituted by various nucleophiles. Starting from beta-amino alcohols 1, the overall process allows efficient access to substituted pyrimidines 4 and 6.