N-methyl 4,6-bis(3,5-dimethylphenylamino)-1,3,5-triazine-2-carboxamide | 1185918-94-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-methyl 4,6-bis(3,5-dimethylphenylamino)-1,3,5-triazine-2-carboxamide
• 英文别名: 4,6-bis(3,5-dimethylanilino)-N-methyl-1,3,5-triazine-2-carboxamide
• CAS: 1185918-94-8
• 化学式: C₂₁H₂₄N₆O
• 分子量: 376.461
• InChiKey: QLLXIOKGWQBGAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  91.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 4,6-bis(3,5-dimethylphenylamino)-1,3,5-triazine-2-carboxylate 、 甲胺 以 1,4-二氧六环 、 水 为溶剂， 以99%的产率得到N-methyl 4,6-bis(3,5-dimethylphenylamino)-1,3,5-triazine-2-carboxamide
  参考文献：
  名称：

  Anarchy in the solid state: structural dependence on glass-forming ability in triazine-based molecular glasses

  摘要：

  We have recently shown that molecular glasses, small molecules capable of readily forming glassy solids as opposed to crystals, can be designed by exploiting molecular association through strong and directional intermolecular interactions, as exemplified by several members of the bis(mexylantino)triazine family. Herein, 43 new bis(mexylamino)triazine derivatives were synthesized, 31 of which have been found to spontaneously form glassy phases and did not crystallize upon heating. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.026

文献信息

• Anarchy in the solid state: structural dependence on glass-forming ability in triazine-based molecular glasses
  作者：James D. Wuest、Olivier Lebel

  DOI：10.1016/j.tet.2009.07.026

  日期：2009.9

  We have recently shown that molecular glasses, small molecules capable of readily forming glassy solids as opposed to crystals, can be designed by exploiting molecular association through strong and directional intermolecular interactions, as exemplified by several members of the bis(mexylantino)triazine family. Herein, 43 new bis(mexylamino)triazine derivatives were synthesized, 31 of which have been found to spontaneously form glassy phases and did not crystallize upon heating. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.