2-chloro-4-(4-ethylpiperazin-1-yl)-6-methyl-5-nitropyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-chloro-4-(4-ethylpiperazin-1-yl)-6-methyl-5-nitropyrimidine
• 英文别名: 2-Chloro-4-(4-ethylpiperazin-1-yl)-6-methyl-5-nitropyrimidine
• 化学式: C₁₁H₁₆ClN₅O₂
• 分子量: 285.733
• InChiKey: YKVNFKCVVRSNGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  78.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  邻氨基苯甲醇 、 2-chloro-4-(4-ethylpiperazin-1-yl)-6-methyl-5-nitropyrimidine 以 间二甲苯 为溶剂， 反应 8.0h， 以79%的产率得到2-(4-ethylpiperazin-1-yl)-4-methyl-3-nitro-6Hpyrimido[2,1-b]quinazoline
  参考文献：
  名称：

  Synthesis of New Derivatives of 4-Methyl-3-nitro-6H-pyrimido[2,1-b]quinazoline

  摘要：

  -Various derivatives of 2-chloro-4-methyl-5-nitropyrimidine were synthesized by the reaction of 2,4-dichloro-6-methyl-5-nitro pyrimidine with amines. The synthesized derivatives were reacted with 2-aminobenzyl alcohol in m-xylene to obtain derivatives of a novel 4-methyl-3-nitro-6H-pyrimido[2,1-b]quinazoline heterocyclic system. The composition and structure of the products was confirmed by CHN analysis, IR, H-1 NMR, and C-13 NMR spectroscopy, and mass spectrometry.

  DOI：

  10.1134/s1070428020020232
• 作为产物：
  描述：

  N-乙基哌嗪 、 2,4-二氯-5-硝基-6-甲基嘧啶 以 氯仿 为溶剂， 反应 2.0h， 以91%的产率得到2-chloro-4-(4-ethylpiperazin-1-yl)-6-methyl-5-nitropyrimidine
  参考文献：
  名称：

  Synthesis of New Derivatives of 4-Methyl-3-nitro-6H-pyrimido[2,1-b]quinazoline

  摘要：

  -Various derivatives of 2-chloro-4-methyl-5-nitropyrimidine were synthesized by the reaction of 2,4-dichloro-6-methyl-5-nitro pyrimidine with amines. The synthesized derivatives were reacted with 2-aminobenzyl alcohol in m-xylene to obtain derivatives of a novel 4-methyl-3-nitro-6H-pyrimido[2,1-b]quinazoline heterocyclic system. The composition and structure of the products was confirmed by CHN analysis, IR, H-1 NMR, and C-13 NMR spectroscopy, and mass spectrometry.

  DOI：

  10.1134/s1070428020020232

文献信息

• Synthesis of New Derivatives of 4-Methyl-3-nitro-6H-pyrimido[2,1-b]quinazoline
  作者：S. M. Banihashemi、H. Hassani、J. Lari

  DOI：10.1134/s1070428020020232

  日期：2020.2

  -Various derivatives of 2-chloro-4-methyl-5-nitropyrimidine were synthesized by the reaction of 2,4-dichloro-6-methyl-5-nitro pyrimidine with amines. The synthesized derivatives were reacted with 2-aminobenzyl alcohol in m-xylene to obtain derivatives of a novel 4-methyl-3-nitro-6H-pyrimido[2,1-b]quinazoline heterocyclic system. The composition and structure of the products was confirmed by CHN analysis, IR, H-1 NMR, and C-13 NMR spectroscopy, and mass spectrometry.