4,4',4''-三苯三甲酸三甲酯 | 17104-75-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4,4',4''-三苯三甲酸三甲酯
• 英文名称: Tris-(p-methoxy-carbonyl-phenyl)-amin
• 英文别名: Tris-(p-carbomethoxyphenyl)amin；Trimethyl 4,4',4''-nitrilotribenzoate；methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
• CAS: 17104-75-5
• 化学式: C₂₄H₂₁NO₆
• 分子量: 419.434
• InChiKey: YSPJYGHSDRYWNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,4',4''-三苯三甲酸三甲酯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以92 %的产率得到4,4',4''-三羧基三苯胺
  参考文献：
  名称：

  金属有机框架中受阻路易斯对的精确距离控制和功能调节

  摘要：

  我们报告了金属有机骨架（MOF）中受挫路易斯对（FLP）的构建，其中路易斯酸（LA）和路易斯碱（LB）都固定在主链上。锚定三位有机硼连接体 LA 和单位连接体 LB 以分离四面体几何形状中的金属氧化物簇，从而可以精确控制它们之间的距离。由于单位 LB 连接体的类型不同（吡啶、苯酚、苯胺和苯甲醇），构建了一系列 11 个 FLP，分别给出 7.1、5.5、5.4 和 4.8 Å 的固定距离，由11 B– 1 H 揭示固态核磁共振波谱。将 LA 和 LB 保持固定距离使得可以通过改变单位 LB 连接体中的官能团来研究静电效应，而 LA 对应物不受影响。这种方法为 FLP 诱导的催化活性位点提供了新的化学环境。

  DOI：

  10.1021/jacs.4c03133
• 作为产物：
  描述：

  4-氨基苯甲酸甲酯 在 铜 、 potassium carbonate 作用下， 生成 4,4',4''-三苯三甲酸三甲酯
  参考文献：
  名称：

  Triarylaminium Salt Free Radicals¹

  摘要：

  DOI：

  10.1021/ja01627a061

文献信息

• An Amide-Containing Metal–Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells
  作者：Jian Wang、Cheng He、Pengyan Wu、Jing Wang、Chunying Duan

  DOI：10.1021/ja2048489

  日期：2011.8.17

  Metal-organic polyhedra represent a unique class of functional molecular containers that display interesting molecular recognition properties and fascinating reactivity reminiscent of the natural enzymes. By incorporating a triphenylamine moiety as a bright blue emitter, a robust cerium-based tetrahedron was developed as a luminescent detector of nitronyl nitroxide (PTIO), a specific spin-labeling nitric oxide (NO) trapper. The tetrahedron encapsulates molecules of NO and PTIO within the cavity to prompt the spin-trapping reaction and transforms the normal EPR responses into a more sensitively luminescent signaling system with the limit of detection improved to 5 nM. Twelve-fold amide groups are also functionalized within the tetrahedron to modify the hydrophilic/lipophilic environment, ensuring the successful application of biological imaging in living cells.
• Influence of Molecular Structure on Paramagnetic Resonance Line Widths
  作者：Robert I. Walter、R. S. Codrington、Amedeo F. D'Adamo、H. C. Torrey

  DOI：10.1063/1.1742879

  日期：1956.8

  Paramagnetic resonance absorption has been observed in a series of free radical triarylaminium salts and in a series of substituted 1-picryl-2,2-diarylhydrazyls. Within each series, the members differ from each other only in the substituents placed in certain aromatic ring positions in the molecules. Line-width measurements in fields of 3080 and 2 oersteds are reported for powder samples of these radicals, together with ``g'' values measured in the larger field. A correlation has been established between the line widths of the paramagnetic resonance absorption lines of the radicals and the Hammett sigma values of their substituent groups. In general, the line widths for both series of radicals decreased with increasingly negative values of the Hammett sigma constants of the substituents. Few compounds containing substituents with positive sigma constants have been observed. Relationships between sigma and line widths for this range of sigma values have been proposed on the basis of the expected electronic effects of such substituents, and are consistent with the available data except for halogen-substituted compounds. These results are interpreted in terms of the degree of delocalization of the unpaired electrons in the various free radicals studied. The effect of delocalization upon the exchange interaction of the unpaired electrons is also discussed in the light of the theories of exchange narrowing of paramagnetic resonance absorption lines.