4-amino-2-acetylamino-6-phenyl-5-ethoxycarbonylpyrimidine | 134221-29-7

• 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: 4-amino-2-acetylamino-6-phenyl-5-ethoxycarbonylpyrimidine
• 英文别名: ethyl 2-acetamido-4-amino-6-phenylpyrimidine-5-carboxylate
• CAS: 134221-29-7
• 化学式: C₁₅H₁₆N₄O₃
• 分子量: 300.317
• InChiKey: LSJVEDVSLYQZLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-amino-2-acetylamino-6-phenyl-5-ethoxycarbonylpyrimidine 在 sodium methylate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 2.0h， 生成 7-amino-3,5-diphenyl-1H,3H-pyrimido<4,5-d>pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of 2,4-diamino-5-acetyl(ethoxycarbonyl)pyrimidines from ?-dicarbonyl compounds and dicyandiamide and their use for building a pyrimido[4,5-d]pyrimidine system

  摘要：

  2,4-Diamino-5-acetyl(ethoxycarbonyl)-6-methyl(phenyl)pyrimidines were obtained by the reaction of acetylacetone and beta-ketocarboxylic acid esters with dicyandiamide in the presence of Ni(OAc)2. It was shown that annelation of the pyrimidine ring with this compound provides a convenient method for building the pyrimido[4,5-d]-pyrimidine system. New derivatives of 2-aminopyrimido[4,5-d]pyrimidine, 7-amino-3H-pyrimido[4,5-d]-pyrimidin-4-one, and 7-amino-1H,3H-pyrimido[4,5-d]-pyrimidine-2,4-dione were synthesized.

  DOI：

  10.1007/bf00959646
• 作为产物：
  描述：

  (E)-3-Amino-2-benzoyl-3-guanidino-acrylic acid ethyl ester 反应 15.0h， 生成 4-amino-2-acetylamino-6-phenyl-5-ethoxycarbonylpyrimidine
  参考文献：
  名称：

  Synthesis of 2,4-diamino-5-acetyl(ethoxycarbonyl)pyrimidines from ?-dicarbonyl compounds and dicyandiamide and their use for building a pyrimido[4,5-d]pyrimidine system

  摘要：

  2,4-Diamino-5-acetyl(ethoxycarbonyl)-6-methyl(phenyl)pyrimidines were obtained by the reaction of acetylacetone and beta-ketocarboxylic acid esters with dicyandiamide in the presence of Ni(OAc)2. It was shown that annelation of the pyrimidine ring with this compound provides a convenient method for building the pyrimido[4,5-d]-pyrimidine system. New derivatives of 2-aminopyrimido[4,5-d]pyrimidine, 7-amino-3H-pyrimido[4,5-d]-pyrimidin-4-one, and 7-amino-1H,3H-pyrimido[4,5-d]-pyrimidine-2,4-dione were synthesized.

  DOI：

  10.1007/bf00959646

文献信息

• DOROXOV, V. A.;GORDEEV, M. F.;KOMKOV, A. V.;BOGDANOV, V. S., IZV. AN CCCP. CEP. XIM,(1991) N, S. 159-164
  作者：DOROXOV, V. A.、GORDEEV, M. F.、KOMKOV, A. V.、BOGDANOV, V. S.

  DOI：——

  日期：——