1-acetyl-2,3-dimethyltetrahydropyrimidinium iodide | 1161940-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 1-acetyl-2,3-dimethyltetrahydropyrimidinium iodide
• CAS: 1161940-52-8
• 化学式: C₈H₁₅N₂O*I
• 分子量: 282.124
• InChiKey: YPQDJYSRQQUVSN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  23.32
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-acetyl-2,3-dimethyltetrahydropyrimidinium iodide 在 sodium tetrahydroborate 作用下， 以 乙腈 为溶剂， 以91%的产率得到1-acetyl-2,3-dimethyltetrahydropyrimidine
  参考文献：
  名称：

  Tetrahydropyrimidine Derivatives as Efficient Organic Reductants for Transfer Hydrogenation

  摘要：

  Two six-membered heterocyclic organic reductants, 1-acetyl-2,3-dimethyltetrahydropyrimidine (ADMP) and 1-tosyl-2,3-dimethyltetrahydropyrimidine (TDMP), were designed and synthesized for transfer hydrogenation. It was shown that both the two reductants could directly reduce a variety of aldehydes and imines to the corresponding saturated products in good yields.

  DOI：

  10.3987/com-08-11603
• 作为产物：
  描述：

  1-acetyl-2-methyltetrahydropyrimidine 、 碘甲烷 反应 5.0h， 以70%的产率得到1-acetyl-2,3-dimethyltetrahydropyrimidinium iodide
  参考文献：
  名称：

  Tetrahydropyrimidine Derivatives as Efficient Organic Reductants for Transfer Hydrogenation

  摘要：

  Two six-membered heterocyclic organic reductants, 1-acetyl-2,3-dimethyltetrahydropyrimidine (ADMP) and 1-tosyl-2,3-dimethyltetrahydropyrimidine (TDMP), were designed and synthesized for transfer hydrogenation. It was shown that both the two reductants could directly reduce a variety of aldehydes and imines to the corresponding saturated products in good yields.

  DOI：

  10.3987/com-08-11603