6-amino-2-methoxy-3-methyl-5-[3-(4-nitrophenyl)-3-oxopropyl]pyrimidin-4(3H)-one | 474975-41-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-amino-2-methoxy-3-methyl-5-[3-(4-nitrophenyl)-3-oxopropyl]pyrimidin-4(3H)-one
• 英文别名: 6-Amino-2-methoxy-3-methyl-5-[3-(4-nitrophenyl)-3-oxopropyl]pyrimidin-4-one
• CAS: 474975-41-2
• 化学式: C₁₅H₁₆N₄O₅
• 分子量: 332.316
• InChiKey: MFCMYOOKVZXXTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  131
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-amino-2-methoxy-3-methyl-5-[3-(4-nitrophenyl)-3-oxopropyl]pyrimidin-4(3H)-one 以 乙醇 为溶剂， 反应 0.17h， 以68%的产率得到7-hydroxy-2-methoxy-3-methyl-7-(4-nitrophenyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  New aspects on the selective synthesis of 7-arylpyrido[2,3-d]pyrimidines

  摘要：

  Pyrido[2,3-d]pyrimidines have been synthesized via a selective cyclocondensation reaction between 6-aminopyrimidines 1 and the Mannich bases, propiophenone hydrochlorides 2. Intermediates for this reaction, such as the Michael addition adduct and the further hydrated pyrido[2,3-d]pyrimidine were isolated to prove the postulated mechanism. NMR analysis of bidimensional experiments allowed to determine unambiguously the process to obtain 7-arylpyrido[2,3-d]pyrimidines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00433-7
• 作为产物：
  描述：

  6-氨基-2-甲氧基-3-甲基-4(3H)-嘧啶酮 、 3-dimethylamino-1-(4-nitrophenyl)propan-1-one hydrochloride 以 乙醇 为溶剂， 以65%的产率得到6-amino-2-methoxy-3-methyl-5-[3-(4-nitrophenyl)-3-oxopropyl]pyrimidin-4(3H)-one
  参考文献：
  名称：

  New aspects on the selective synthesis of 7-arylpyrido[2,3-d]pyrimidines

  摘要：

  Pyrido[2,3-d]pyrimidines have been synthesized via a selective cyclocondensation reaction between 6-aminopyrimidines 1 and the Mannich bases, propiophenone hydrochlorides 2. Intermediates for this reaction, such as the Michael addition adduct and the further hydrated pyrido[2,3-d]pyrimidine were isolated to prove the postulated mechanism. NMR analysis of bidimensional experiments allowed to determine unambiguously the process to obtain 7-arylpyrido[2,3-d]pyrimidines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00433-7