(1,3,5-triazinane-1,3,5-triyl)tris(6,13,20-trioxo-7,14-dioxa-3,10,17-trithiaicosane-20,1-diyl) triacrylate | 1174016-32-0

• 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: (1,3,5-triazinane-1,3,5-triyl)tris(6,13,20-trioxo-7,14-dioxa-3,10,17-trithiaicosane-20,1-diyl) triacrylate
• CAS: 1174016-32-0
• 化学式: C₅₇H₈₇N₃O₂₁S₉
• 分子量: 1438.92
• InChiKey: ZNTXNFMSJDGZPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.91
• 重原子数：
  90.0
• 可旋转键数：
  57.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  297.63
• 氢给体数：
  0.0
• 氢受体数：
  30.0

反应信息

• 作为反应物：
  描述：

  (1,3,5-triazinane-1,3,5-triyl)tris(6,13,20-trioxo-7,14-dioxa-3,10,17-trithiaicosane-20,1-diyl) triacrylate 、 2-巯基乙醇 在 正丙胺 作用下， 以 甲醇 为溶剂， 以89%的产率得到2-[3-[2-[3-[2-[3-[3,5-Bis[3-[2-[3-[2-[3-[2-[3-(2-hydroxyethylsulfanyl)propanoyloxy]ethylsulfanyl]propanoyloxy]ethylsulfanyl]propanoyloxy]ethylsulfanyl]propanoyl]-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylethoxy]-3-oxopropyl]sulfanylethoxy]-3-oxopropyl]sulfanylethyl 3-(2-hydroxyethylsulfanyl)propanoate
  参考文献：
  名称：

  Facile and efficient synthesis of star-shaped oligomers from a triazine core

  摘要：

  A facile and efficient synthetic approach to tripodal star-shaped oligomers is described. Several generations of hydroxyl-terminated tripodal star-shaped oligomers were prepared in high yield from 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT) as a core by alternating amine-catalyzed thiol-ene and acrylate esterification reactions. The compounds were fully characterized by 1D and 2D NMR spectroscopy, ESI-MIS, and elemental analysis. The combination of thioether groups and hydrogen bonding moieties suggests that these products can be used as metal chelating ligands. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.132
• 作为产物：
  描述：

  (((1,3,5-triazinane-1,3,5-triyl)tris(3-oxopropane-3,1-diyl))tris(sulfanediyl))tris(ethane-2,1-diyl) tris(3-((2-((3-((2-hydroxyethyl)thio)propanoyl)oxy)ethyl)thio)propanoate) 、 丙烯酰氯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以78%的产率得到(1,3,5-triazinane-1,3,5-triyl)tris(6,13,20-trioxo-7,14-dioxa-3,10,17-trithiaicosane-20,1-diyl) triacrylate
  参考文献：
  名称：

  Facile and efficient synthesis of star-shaped oligomers from a triazine core

  摘要：

  A facile and efficient synthetic approach to tripodal star-shaped oligomers is described. Several generations of hydroxyl-terminated tripodal star-shaped oligomers were prepared in high yield from 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT) as a core by alternating amine-catalyzed thiol-ene and acrylate esterification reactions. The compounds were fully characterized by 1D and 2D NMR spectroscopy, ESI-MIS, and elemental analysis. The combination of thioether groups and hydrogen bonding moieties suggests that these products can be used as metal chelating ligands. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.132