Methyl 4-tert-butylpyrimidine-5-carboxylate | 1220450-55-4

• 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: Methyl 4-tert-butylpyrimidine-5-carboxylate
• 英文别名: methyl 4-tert-butylpyrimidine-5-carboxylate
• CAS: 1220450-55-4
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: MYEVPOOMDBWPHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 3-oxo-2-(iodomethylene)-4,4-dimethylpentanoate 、 甲脒盐酸盐 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 Methyl 4-tert-butylpyrimidine-5-carboxylate
  参考文献：
  名称：

  Efficient Assembly of 2,5,6-Substituted Pyrimidines via MgI₂-Mediated Morita−Baylis−Hillman Reaction

  摘要：

  A mild and efficient protocol for the synthesis of a 2,6-disubstituted pyrimidine-5-carboxylate library via a Morita-Baylis-Hillman (MBH) adduct is described. Herein, the three step methodology involves the use of substituted alpha-iodomethylene beta-keto ester intermediates obtained after oxidation of the MBH adducts, which are condensed with various types of amidine or guanidine derivatives, to generate the 2, 6-disubstituted pyrimidines-5-carboxylate libraries.

  DOI：

  10.1021/cc100001e

文献信息

• Efficient Assembly of 2,5,6-Substituted Pyrimidines via MgI₂-Mediated Morita−Baylis−Hillman Reaction
  作者：Vasudha Sharma、Mark L. McLaughlin

  DOI：10.1021/cc100001e

  日期：2010.5.10

  A mild and efficient protocol for the synthesis of a 2,6-disubstituted pyrimidine-5-carboxylate library via a Morita-Baylis-Hillman (MBH) adduct is described. Herein, the three step methodology involves the use of substituted alpha-iodomethylene beta-keto ester intermediates obtained after oxidation of the MBH adducts, which are condensed with various types of amidine or guanidine derivatives, to generate the 2, 6-disubstituted pyrimidines-5-carboxylate libraries.