1-(1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazol-4-yl)ethanone | 899373-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1-(1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazol-4-yl)ethanone
• 英文别名: 1-[1-[4-[benzyl(methyl)amino]-6-pyrrol-1-yl-1,3,5-triazin-2-yl]-5-methyltriazol-4-yl]ethanone
• CAS: 899373-17-2
• 化学式: C₂₀H₂₀N₈O
• mdl: MFCD07657078
• 分子量: 388.432
• InChiKey: IWXHRFHOSDHHPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  94.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-azido-N-benzyl-N-methyl-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine 、 乙酰丙酮 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以71%的产率得到1-(1-{4-[benzyl(methyl)amino]-6-(1H-pyrrol-1-yl)-1,3,5-triazin-2-yl}-5-methyl-1H-1,2,3-triazol-4-yl)ethanone
  参考文献：
  名称：

  三嗪类。8. 4,6-二取代的2-（1H-吡咯基）-1,3,5-三嗪的合成及一些反应

  摘要：

  We have studied the reaction of 2,5-dimethoxytetrahydrofuran with 4,6-disubstituted 2-amino-1,3,5-triazines with the aim of obtaining novel coupled polyheterocyclic systems with potential bioactivity. Reaction conditions were optimized. A series of novel 4,6-disubstituted 2-(1H-1-pyrrolyl)-sym-triazines was obtained. It was found that the product yields depended on the nature of the substituent in the 4 and 6 positions of the triazine ring and on the reaction conditions.

  DOI：

  10.1007/s10593-008-0050-4

文献信息

• sym-triazines. 8. Synthesis and some reactions of 4,6-disubstituted 2-(1H-pyrrolyl)-1,3,5-triazines
  作者：A. A. Chesnyuk、S. N. Mikhailichenko、V. N. Zaplishnyi、L. D. Konyushkin、S. I. Firgang

  DOI：10.1007/s10593-008-0050-4

  日期：2008.3

  We have studied the reaction of 2,5-dimethoxytetrahydrofuran with 4,6-disubstituted 2-amino-1,3,5-triazines with the aim of obtaining novel coupled polyheterocyclic systems with potential bioactivity. Reaction conditions were optimized. A series of novel 4,6-disubstituted 2-(1H-1-pyrrolyl)-sym-triazines was obtained. It was found that the product yields depended on the nature of the substituent in the 4 and 6 positions of the triazine ring and on the reaction conditions.