1-Benzyl-6-butyl-1H-pyrimidine-2,4-dione | 821795-65-7

• 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: 1-Benzyl-6-butyl-1H-pyrimidine-2,4-dione
• 英文别名: 1-Benzyl-6-butylpyrimidine-2,4-dione
• CAS: 821795-65-7
• 化学式: C₁₅H₁₈N₂O₂
• 分子量: 258.32
• InChiKey: MBCIYKRPPXPZNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-Butyl-3-benzhydrylpyrimidine-2,4(1H,3H)-dione 在 三氟甲磺酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 生成 1-Benzyl-6-butyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Benzhydryl as an Efficient Selective Nitrogen Protecting Group for Uracils

  摘要：

  Regioselective N-substitution of the less active nitrogen within uracil analogues has been achieved following preliminary N-protection at the more active N-position with a benzhydryl protecting group. This protecting group is stable to concentrated HCl (aqueous) at reflux temperature, TFA at room temperature, and Pd-C-catalyzed normal pressure hydrogenation at room temperature; the benzhydryl group can be removed quantitatively and selectively with a 10% triflic acid solution in TFA at 0 degreesC.

  DOI：

  10.1021/jo0485076

文献信息

• Benzhydryl as an Efficient Selective Nitrogen Protecting Group for Uracils
  作者：Fan Wu、Musole G. Buhendwa、Donald F. Weaver

  DOI：10.1021/jo0485076

  日期：2004.12.1

  Regioselective N-substitution of the less active nitrogen within uracil analogues has been achieved following preliminary N-protection at the more active N-position with a benzhydryl protecting group. This protecting group is stable to concentrated HCl (aqueous) at reflux temperature, TFA at room temperature, and Pd-C-catalyzed normal pressure hydrogenation at room temperature; the benzhydryl group can be removed quantitatively and selectively with a 10% triflic acid solution in TFA at 0 degreesC.