N,N',N''-tris(3-methylpyridyl)trimesic amide | 444907-16-8

• 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(3-methylpyridyl)trimesic amide
• 英文别名: N,N',N''-tris(3-pyridylmethyl)benzene-1,3,5-tricarboxamide；1-N,3-N,5-N-tris(pyridin-3-ylmethyl)benzene-1,3,5-tricarboxamide
• CAS: 444907-16-8
• 化学式: C₂₇H₂₄N₆O₃
• 分子量: 480.526
• InChiKey: QBBQMKCZFAAMGS-UHFFFAOYSA-N

物化性质

• 沸点：
  844.8±65.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N',N''-tris(3-methylpyridyl)trimesic amide 、 copper(II) nitrate trihydrate 、 二甲基亚砜 以 二甲基亚砜 为溶剂， 生成 [Cu6(N,N',N''-tris(3-pyridinylmethyl)-1,3,5-benzenetricarboxamide)8](NO3)12*10DMSO*33H2O
  参考文献：
  名称：

  Porous Metal−Organic Frameworks Based on Metal−Organic Polyhedra with Nanosized Cavities as Supramolecular Building Blocks:  Two-Fold Interpenetrating Primitive Cubic Networks of [Cu₆L₈]¹²⁺ Nanocages

  摘要：

  Discrete metal-organic polyhedra (MOP) with nanosized cavities and/or clusters of MOP could be prepared when C-3-symmetric facial ligands and a potential hexatopic Cu(II) ion are combined in the presence of perchlorate as a weak linker, while similar reaction conditions in the presence of a nitrate linker led to extended metal-organic frameworks made of MOP as supramolecular building blocks.

  DOI：

  10.1021/ic7013623
• 作为产物：
  描述：

  3-氨甲基吡啶 、 均苯三甲酸 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以89%的产率得到N,N',N''-tris(3-methylpyridyl)trimesic amide
  参考文献：
  名称：

  精确控制的多维共价框架：超分子胶体的聚合。

  摘要：

  从水中快速选择性地去除微量污染物对于水资源的再利用很重要。尽管中空框架具有基于一系列相互作用的选择性吸附的特定功能化多孔壁，但是为去除特定污染物而定制稳定形状的纳米级和微米级体系结构仍然是一个挑战。在这里，通过超分子胶体在极性溶剂中的交联，得到了精确控制的片，管和球形框架。该框架在很大程度上取决于原始的超分子胶体的体系结构。随着胶体的熵增加，最初的层状框架卷成空心小管，然后进一步卷曲成空心球。

  DOI：

  10.1002/anie.202010306

文献信息

• Uncommon hexagonal microtubule based gel from a simple trimesic amide
  作者：Naien Shi、Gui Yin、Hongbian Li、Min Han、Zheng Xu

  DOI：10.1039/b804455d

  日期：——

  A small molecule of N,N′,N″-tris(3-methylpyridyl)-trimesic amide was assembled into a novel hexagonal microtube through intermolecular hydrogen bonds, and simultaneously formed a gel system in H2O–THF mixed solvent. Tuning gelator concentration or the preparation method can effectively control the size of the hexagonal tubes.

  小分子 N,N′,N″-三(3-甲基吡啶基)-三甲基酰胺通过分子间氢键组装成新型六角微管，并同时在 H2O-THF 混合溶剂中形成凝胶体系。调节凝胶剂浓度或制备方法可有效控制六角微管的尺寸。
• Self-Assembly of Molecular Nanoball:  Design, Synthesis, and Characterization
  作者：Sushobhan Ghosh、Partha Sarathi Mukherjee

  DOI：10.1021/jo061311g

  日期：2006.10.1

  The design and self-assembly of two new flexible supramolecular nanoballs are described. These assemblies incorporate two flexible tritopic amide and ester building blocks and were prepared in excellent yields (96-97%) via coordination driven self-assembly. The first resulted from the reaction of 4 equiv of a new tritopic ester ligand N,N',N''-tris(4-pyridylmethyl) trimesic ester and 3 equiv of C-4 symmetric Pd(NO3)(2). The second analogous structure was obtained by the self-assembly of a flexible N,N',N''-tris(3-pyridylmethyl) trimesic amide and Pd(NO3)(2). The assemblies were characterized with multinuclear NMR spectroscopy, electrospray ionization mass spectroscopy, elemental analysis, and TGA. Mass spectrometry along with NMR data and TEM view confirms the existence of the two assemblies. MM2 force field simulations of the cages showed a ball shape with the diameter of the inner cavity of about 2.1 and 1.8 nm for 2a and 2b, respectively, which were also corroborated by TEM analysis.