2-mexylamino-4,6-dichloro-1,3,5-triazine | 911840-80-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-mexylamino-4,6-dichloro-1,3,5-triazine
• 英文别名: 4,6-dichloro-2-mexylamino-1,3,5-triazine；2-(3,5-dimethylphenylamino)-4,6-dichloro-1,3,5-triazine；4,6-dichloro-N-(3,5-dimethylphenyl)-1,3,5-triazin-2-amine
• CAS: 911840-80-7
• 化学式: C₁₁H₁₀Cl₂N₄
• mdl: MFCD17294486
• 分子量: 269.133
• InChiKey: SHROYAMZCWFGFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  450.7±55.0 °C(Predicted)
• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-mexylamino-4,6-dichloro-1,3,5-triazine 在 硫酸 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 36.0h， 生成 Methyl 3-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzoate
  参考文献：
  名称：

  One ring to rule them all: effect of aryl substitution on glass-forming ability in mexylaminotriazine molecular glasses

  摘要：

  Mexylaminotriazines are an exciting new class of small molecules capable of forming glassy phases (molecular glasses) that have shown outstanding glass-forming properties and resistance to crystallization. The effect of the structure of the 'headgroup' at the 2-position of the triazine ring on glass-forming properties has been studied, but the role of the arylamino substituents is unclear, though it has been shown that one of the aryl groups can be substituted with other aryl groups without loss of glass-forming ability. Herein, a library of mexylaminotriazine derivatives with various arylamino and cycloalkylamino groups has been synthesized and characterized. It was found that glass-forming ability is tolerant to a wide range of substituents, with all the compounds reported being capable of forming glassy phases, and only one compound crystallizing upon heating. On the other hand, the structure of the ancillary group has a profound impact on the glass transition temperatures (T-g) of the compounds, with values ranging from 52 to 131 degrees C having been obtained. Several trends between substitution pattern and T-g were observed. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.103
• 作为产物：
  描述：

  三聚氯氰 、 1-氨基-3,5-二甲苯 在 碳酸氢钠 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 2-mexylamino-4,6-dichloro-1,3,5-triazine
  参考文献：
  名称：

  Structure–activity relationships of novel antibacterial translation inhibitors: 3,5-Diamino-piperidinyl triazines

  摘要：

  Structure-activity relationships of the 3,5-diamino-piperidinyl triazine series, a novel class of bacterial translation inhibitors, are described. Optimization was focused on the triazine C-4 position in which aromatic substituents that contained electron-withdrawing groups led to potent inhibitors. The initial lack of antibacterial activity was correlated with poor cellular penetration. Whole cell antibacterial activity was achieved by linking additional aromatic moieties at the triazine C-4 position. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.052

文献信息

• MOLECULAR GLASSES WITH FUNCTIONALIZABLE GROUPS
  申请人：Minister of National Defence Her Majesty the Queen in right of Canada as represented by the

  公开号：US20140005370A1

  公开（公告）日：2014-01-02

  Disclosed herein is a compound having Formula I: or a salt thereof, in which R 1 , R 2 and R 3 are as defined herein. Also disclosed are processes to prepare compounds of Formula I and use of compounds of Formula I to prepare stable glassy phases.

  本文披露了具有化学式I的化合物：或其盐，其中R1、R2和R3如本文所定义。还披露了制备化合物I的方法以及利用化合物I制备稳定玻璃相的用途。
• Transition metal molecular glasses by design: mexylaminotriazine-functionalized salicylaldehyde imine ligands
  作者：Mahboubeh Jokar、Michael Cherry、Jennifer Scott、Olivier Lebel

  DOI：10.1039/c9nj01159e

  日期：——

  particularly to opto-electronic devices. However, there is limited information regarding the synthesis of glass-forming metal complexes. Herein, a library of salicylaldehyde imine derivatives incorporating mexylaminotriazine substituents were synthesized, from which respective complexes with various first-row transition metals were prepared. The resulting compounds were characterized and evaluated for their glass-forming

  甲氨酰氨基三嗪是一类新型的小分子，能够形成稳定的玻璃相。当与多种小分子共价连接时，甲氨酰氨基三嗪具有引入抗结晶性的能力，并能为传统上无法轻易采用玻璃态的各种其他部分产生稳定的玻璃态。迄今为止，这已特别应用于光电设备。但是，关于形成玻璃的金属络合物的合成的信息有限。在此，合成了结合有甲基氨基三嗪取代基的水杨醛亚胺衍生物的文库，由此制备了具有各种第一行过渡金属的各自的配合物。表征所得化合物并评估其玻璃形成性能。已发现所有合成的配体和配合物均具有采用玻璃相的能力。但是，金属中心被确定对玻璃化转变温度有深远的影响（T g）。另外，发现将甲氨氨基三嗪部分结合到配体框架中可以为将玻璃形成性引入各种金属配合物中提供可靠和可预测的策略。
• Azobenzene molecular glasses with tuned glass transition temperatures: from optimal light-induced motion to self-erasable gratings
  作者：Austin Diggins、Eoin Dawson、Mahnaz Kamaliardakani、Christian Pellerin、Ribal Georges Sabat、Olivier Lebel

  DOI：10.1039/d0tc00393j

  日期：——

  The rate of photomechanical formation of surface relief gratings (SRG) in thin films of azobenzene materials depends on their glass transition temperature (T_g), with self-erasable gratings being formed with materials with sub-ambient T_g.

  偏光光谱技术可以用于检测和分析材料中的有序结构，例如表面浮雕光栅。在偏光光谱中，亚苯基材料薄膜中表面浮雕光栅的光机械形成速率取决于它们的玻璃化转变温度（Tg），使用低于环境温度的Tg材料可以形成自擦除光栅。
• Molecular Glasses With Functionalizable Groups
  申请人：Her Majesty the Queen in Right of Canada as represented by the Minister of National Defence

  公开号：US20150232433A1

  公开（公告）日：2015-08-20

  Disclosed herein is a compound having Formula I: or a salt thereof, in which R 1 , R 2 and R 3 are as defined herein. Also disclosed are processes to prepare compounds of Formula I and use of Formula I to prepare stable glassy phases.

  本文公开了一种具有I式的化合物：或其盐，其中R1、R2和R3的定义如本文所述。还公开了制备I式化合物的方法和使用I式化合物制备稳定玻璃相的用途。
• US9346768B2
  申请人：——

  公开号：US9346768B2

  公开（公告）日：2016-05-24