N-benzyl-4-methyl-2-phenylpyrimidine-5-carboxamide | 1185155-13-8

• 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: N-benzyl-4-methyl-2-phenylpyrimidine-5-carboxamide
• 英文别名: N-Benzyl-4-methyl-2-phenyl-5-pyrimidinecarboxamide
• CAS: 1185155-13-8
• 化学式: C₁₉H₁₇N₃O
• 分子量: 303.363
• InChiKey: SYIQQSVKOIVEHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-Methyl-2-phenylpyrimidine-5-carbonyl chloride 、 苄胺 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 N-benzyl-4-methyl-2-phenylpyrimidine-5-carboxamide
  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.