N,N-diethyl-N',N'-diphenyl-6-(1H-pyrrol-1-yl)-1,3,5-triazine-2,4-diamine | 633279-21-7

• 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: N,N-diethyl-N',N'-diphenyl-6-(1H-pyrrol-1-yl)-1,3,5-triazine-2,4-diamine
• 英文别名: 4-N,4-N-diethyl-2-N,2-N-diphenyl-6-pyrrol-1-yl-1,3,5-triazine-2,4-diamine
• CAS: 633279-21-7
• 化学式: C₂₃H₂₄N₆
• mdl: MFCD03820534
• 分子量: 384.484
• InChiKey: WSMRFENLFDKOIG-UHFFFAOYSA-N

物化性质

• 熔点：
  116-117 °C(Solv: ethanol (64-17-5))
• 沸点：
  572.4±33.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.08
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,5-二甲氧基四氢呋喃 、 N2,N2-diethyl-N4,N4-diphenyl-1,3,5-triazine-2,4,6-triamine 在 phosphorus pentoxide 作用下， 以 甲苯 为溶剂， 以82%的产率得到N,N-diethyl-N',N'-diphenyl-6-(1H-pyrrol-1-yl)-1,3,5-triazine-2,4-diamine
  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.