[4-[[4-[[4,6-bis[4-[[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]methylideneamino]-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol | 1269441-05-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-[[4-[[4,6-bis[4-[[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]methylideneamino]-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
• CAS: 1269441-05-5
• 化学式: C₃₆H₃₃N₁₅O₉
• 分子量: 819.753
• InChiKey: YFAGXEMJCBDVBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.62
• 重原子数：
  60.0
• 可旋转键数：
  18.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  316.95
• 氢给体数：
  6.0
• 氢受体数：
  24.0

反应信息

• 作为产物：
  描述：

  4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole 、 2,4,6-三（4-甲酰基苯氧基）-1,3,5-三嗪 在 溶剂黄146 作用下， 反应 15.0h， 以84%的产率得到[4-[[4-[[4,6-bis[4-[[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]methylideneamino]-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
  参考文献：
  名称：

  Synthesis and Characterization of Some New Star-Shaped Polydentate Ligands from 2,4,6-Trichloro-1,3,5-triazine

  摘要：

  Some new star-shaped polydentate ligands were synthesized using 2,4,6-tris(p-formylphenoxy)-1,3,5-triazine as a template and were characterized by infrared, H-1 NMR, and C-13 NMR spectra and elemental analysis. These products may form polynuclear complexes with metal ions, and the complexes may possess potential applications in the area of electromaterials, optomaterials, magnetic materials, and bio-organic materials.

  DOI：

  10.1080/00397910903576628