N,N',N''-tris-(4-methoyxphenyl)-[1,3,5]triazine-2,4,6-triamine | 107766-27-8

• 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: N,N',N''-tris-(4-methoyxphenyl)-[1,3,5]triazine-2,4,6-triamine
• 英文别名: N2,N4,N6-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine；1,3,5-Triazine-2,4,6-triamine, N,N',N''-tris(4-methoxyphenyl)-；2-N,4-N,6-N-tris(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
• CAS: 107766-27-8
• 化学式: C₂₄H₂₄N₆O₃
• 分子量: 444.493
• InChiKey: UDVGZSXPQRYXKY-UHFFFAOYSA-N

物化性质

• 熔点：
  218 °C
• 沸点：
  660.2±65.0 °C(Predicted)
• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  三聚氯氰 、 甲氧苯胺 以 溶剂黄146 为溶剂， 以94%的产率得到N,N',N''-tris-(4-methoyxphenyl)-[1,3,5]triazine-2,4,6-triamine
  参考文献：
  名称：

  使用乙酸作为溶剂的氰尿酰氯芳基胺化的高效“绿色”方法

  摘要：

  乙酸是一种廉价，环保的溶剂，可用于氰尿酰氯与包括硝基苯胺在内的芳香胺的简便，清洁和高收率的芳基胺化。与以前报道的方法相比，大大简化了乙酸介质中的芳基胺化反应和分离步骤。在适当条件下，可以以受控方式连接相同或不同的苯胺残基，从而分别以优异的产率获得对称和不对称的1,3,5-三嗪衍生物。

  DOI：

  10.1002/jhet.5570450236

文献信息

• An efficient, “green” approach to aryl amination of cyanuric chloride using acetic acid as solvent
  作者：Kirill A. Kolmakov

  DOI：10.1002/jhet.5570450236

  日期：2008.3

  Acetic acid is an inexpensive and environmentally friendly solvent for facile, clean and high-yielding aryl amination of cyanuric chloride with aromatic amines, including nitroanilines. Aryl amination in acetic acid medium and isolation protocol are greatly simplified as compared to previously reported procedures. Under proper conditions, it is possible to attach the same or different aniline residues

  乙酸是一种廉价，环保的溶剂，可用于氰尿酰氯与包括硝基苯胺在内的芳香胺的简便，清洁和高收率的芳基胺化。与以前报道的方法相比，大大简化了乙酸介质中的芳基胺化反应和分离步骤。在适当条件下，可以以受控方式连接相同或不同的苯胺残基，从而分别以优异的产率获得对称和不对称的1,3,5-三嗪衍生物。
• Synthesis, Characterization and Determination of HOMO-LUMO of the Substituted 1,3,5-Triazine Molecule for the Applications of Organic Electronics
  作者：Pakkath, Rajeesh、Eeda, Koti Reddy、Kuriakose, Sheena、Saritha、Sajith, Ayyiliath M.、Karuvalam, Ranjith Pakkath、Haridas, Karickal Raman

  DOI：10.5012/jkcs.2019.63.5.352

  日期：——

  The most important parameter of organic molecules for energy harvesting application focuses mainly on their band gap (HOMO-LUMO). In this report, we synthesized differently substituted 1,3,5-triazine based organic molecule which on future processing can be used in organic electronics like solar cells and OLED's. The energy gap of the synthesized novel analogue was calculated using cyclic voltammetry, UV-Visible spectroscopy and compared with density functional theory (DFT) studies.

  有机分子在能量采集应用中最重要的参数主要集中在它们的能隙（HOMO-LUMO）上。在本报告中，我们合成了不同取代基的1,3,5-三嗪基有机分子，这些分子在未来的加工中可用于有机电子器件，如太阳能电池和OLED。通过循环伏安法、紫外-可见光谱法计算了合成的新型类似物的能隙，并与密度泛函理论（DFT）研究进行了比较。
• Vibrational and optical characterization of s-triazine derivatives
  作者：Luigi Stagi、Daniele Chiriu、Marek Scholz、Carlo Maria Carbonaro、Riccardo Corpino、Andrea Porcheddu、Suvi Rajamaki、Giancarlo Cappellini、Roberto Cardia、Pier Carlo Ricci

  DOI：10.1016/j.saa.2017.04.053

  日期：2017.8

  optical and electron properties of three different s-triazine derivatives are investigated to ascertain the role of the donor acceptor character in amine-triazine systems depending on the bridging radical of the ammine group. The three derivatives were obtained starting from three different ammine compounds allowing to achieve a structure with a triazine core, surrounded by three ammine group and terminated

  研究了三种不同的s-三嗪衍生物的光学和电子性质，以确定胺-三嗪系统中供体受体特征的作用，具体取决于胺基的桥连基团。从三种不同的胺化合物开始获得这三种衍生物，所述胺化合物实现了具有三嗪核的结构，被三胺基团包围并被氰基或甲基或氧基-甲基官能团封端。鉴于通过基于基本化合物的密度泛函理论模拟所收集的电子见解来解释实验光学数据。与参比的给电子三嗪核相比，从电子接受到给电子特征，所得化合物显示出不同的供体受体特性。在分析的衍生产品中，
• Synthesis and cytotoxic activity of trisubstituted-1,3,5-triazines
  作者：Kapil Arya、Anshu Dandia

  DOI：10.1016/j.bmcl.2007.04.007

  日期：2007.6

  1, 3,5-Triazine derivatives were screened for phototoxicity as well as the cytotoxic activities against leukemia and adenocarcinoma derived cell lines in comparison to the normal human keratinocytes. A simple and environmentally friendly procedure has been developed for the synthesis of 1,3,5-triazine derivatives under microwave irradiation in the presence of a HY zeolite. The catalyst can be recovered and reused. Thus, the procedure provides a simple and green synthetic methodology under environmentally friendly conditions. Structure-activity relationships between the chemical structures and antimycobacterial and photosynthesis-inhibiting activity of the evaluated compounds are also discussed. (c) 2007 Elsevier Ltd. All rights reserved.
• LIQUID CRYSTAL POLYMER AND FILM THEREOF
  申请人：Uehira Shigeki

  公开号：US20090240022A1

  公开（公告）日：2009-09-24

  A liquid crystal polymer represented by the following formula (I): wherein D represents a n-valence connecting group; n represents an integer of 3 to 20; L 1 represents a single bond or a bivalent connecting group; P represents a polymer having at least one ester bond and/or amide bond and having a weight-average molecular weight of 1,000 or more; m represents an integer that satisfies the relation of n≧m; R represents a hydrogen atom or a substituent; when a plurality of L 1 , a plurality of P, or a plurality of R are present in a molecule, they may be the same or different from each other; and P and P, or P and R may bond together.