4,4',4''-((1E,1'E,1''E)-(1,3,5-triazine-2,4,6-triyl)tris(ethene-2,1-diyl))tris(N,N-di-p-tolylaniline) | 1360903-43-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4',4''-((1E,1'E,1''E)-(1,3,5-triazine-2,4,6-triyl)tris(ethene-2,1-diyl))tris(N,N-di-p-tolylaniline)
• 英文别名: N-[4-[(E)-2-[4,6-bis[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
• CAS: 1360903-43-0
• 化学式: C₆₉H₆₀N₆
• 分子量: 973.276
• InChiKey: JDUGJOMBPZCAGZ-IBLHGWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.8
• 重原子数：
  75
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4,6-三甲基-1,3,5-三嗪 、 4-二对甲苯胺基苯甲醛 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 26.0h， 以43.7%的产率得到4,4',4''-((1E,1'E,1''E)-(1,3,5-triazine-2,4,6-triyl)tris(ethene-2,1-diyl))tris(N,N-di-p-tolylaniline)
  参考文献：
  名称：

  Synthesis, tunable two and three-photon absorption properties of triazine derivatives by branches

  摘要：

  Three novel triazine derivatives, (E)-4-(2-(4,6-dimethyl-1,3,5-triazin-2-yl)vinyl)- N,N-di-p-tolylaniline (a), 4,4'-((1E,1'E)-(6-methyl-1,3,5-triazine-2,4-diyl) bis(ethene-2,1-diy))bis(N,N-di-p-tolylaniline) (b), and 4,4',4"-((1E,1'E,1''E)-(1,3,5- triazine-2,4,6-triyl)tris(ethene-2,1-diyl))tris(N,N-di-p-tolylaniline) (c), were designed and synthesized. Their photophysical and photochemical properties were investigated systematically including single-photon absorption, nonlinear optical absorption (NOA) and up-converted fluorescence. Interestingly, the compound a with single branch showed pure three-photon absorption phenomenon, while the corresponding b and c indicated two-photon induced excited-state absorption properties, showing strong structure-dependence relationship. The results offer a method to design and synthesize organic molecules for multiphoton materials. It was noted that the three-photon cross-section value (delta(3)) of a was up to 1.35 x 10(-76) cm(6) s(2). Correspondingly, the two-photon (delta(2)) and excited-state cross-section (delta(e)) values of b and c also were obtained, and value of them were 485 GM and 1.03 x 10(-17) cm(2) for b, and 1100 GM and 1.27 x 10(-18) cm(2) for c, respectively. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.014