6-(2,6-dimethylhept-5-enyl)-2-methylpyrimidin-4-ol | 1258306-21-6

• 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: 6-(2,6-dimethylhept-5-enyl)-2-methylpyrimidin-4-ol
• 英文别名: 4-(2,6-dimethylhept-5-enyl)-2-methyl-1H-pyrimidin-6-one
• CAS: 1258306-21-6
• 化学式: C₁₄H₂₂N₂O
• 分子量: 234.341
• InChiKey: GGILHWJTKIABOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  香茅醛 在 三氟化硼乙醚 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 6-(2,6-dimethylhept-5-enyl)-2-methylpyrimidin-4-ol
  参考文献：
  名称：

  Synthesis of β-Keto Esters In-Flow and Rapid Access to Substituted Pyrimidines

  摘要：

  We have developed an in-flow process for the synthesis of beta-keto esters via the BF3 center dot OEt2-catalyzed formal C-H insertion of ethyl diazoacetate into aldehydes. The beta-keto esters were then condensed with a range of amidines to give a variety of 2,6-substituted pyrimidin-4-ols.

  DOI：

  10.1021/jo101783m

文献信息

• Synthesis of β-Keto Esters In-Flow and Rapid Access to Substituted Pyrimidines
  作者：Hannah E. Bartrum、David C. Blakemore、Christopher J. Moody、Christopher J. Hayes

  DOI：10.1021/jo101783m

  日期：2010.12.17

  We have developed an in-flow process for the synthesis of beta-keto esters via the BF3 center dot OEt2-catalyzed formal C-H insertion of ethyl diazoacetate into aldehydes. The beta-keto esters were then condensed with a range of amidines to give a variety of 2,6-substituted pyrimidin-4-ols.