3-cyclohexylpyrimidin-4(3H)-one | 1133219-04-1

• 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-cyclohexylpyrimidin-4(3H)-one
• 英文别名: 3-Cyclohexyl-3,4-dihydropyrimidin-4-one；3-cyclohexylpyrimidin-4-one
• CAS: 1133219-04-1
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: MZZQPQCJBQYWJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环己胺 、 4(3H)-嘧啶酮 在 HATU 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 以28%的产率得到3-cyclohexylpyrimidin-4(3H)-one
  参考文献：
  名称：

  Synthesis of 3-Substituted-4(3H)-quinazolinones via HATU-Mediated Coupling of 4-Hydroxyquinazolines with Amines

  摘要：

  A novel synthesis of 3-substituted 4(3H)-quinazolinones via HATU-mediated coupling of 4-hydroxyquinazolines with primary amines has been developed. Under mild reaction conditions, the products were achieved in good yield from commercially available starting materials.

  DOI：

  10.1021/ol802946p

文献信息

• Synthesis of 3-Substituted-4(3<i>H</i>)-quinazolinones via HATU-Mediated Coupling of 4-Hydroxyquinazolines with Amines
  作者：Zili Xiao、Michael G. Yang、Peng Li、Percy H. Carter

  DOI：10.1021/ol802946p

  日期：2009.3.19

  A novel synthesis of 3-substituted 4(3H)-quinazolinones via HATU-mediated coupling of 4-hydroxyquinazolines with primary amines has been developed. Under mild reaction conditions, the products were achieved in good yield from commercially available starting materials.