1,3,5-tris[bis(pyridine-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene | 223737-62-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3,5-tris[bis(pyridine-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene
• 英文别名: 1,3,5-Tris(bis(pyrid-2-ylmethyl)amino)methyl-2,4,6-triethyl-benzene；N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
• CAS: 223737-62-0
• 化学式: C₅₁H₅₇N₉
• 分子量: 796.074
• InChiKey: LBPKXNISKCOOSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  60
• 可旋转键数：
  21
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  87.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  zinc(II) perchlorate 、 1,3,5-tris[bis(pyridine-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene 以 aq. buffer 为溶剂， 生成 [Zn₃(1,3,5-tris[bis(pyridine-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene)]⁶⁺hexaperchlorate
  参考文献：
  名称：

  高灵敏度的基于金纳米粒子的比色探针，用于植酸检测，对各种磷酸盐衍生物具有高选择性

  摘要：

  使用[Zn 3（1,3,5-tris [双（吡啶-2-基甲基）氨基甲基] -2,4,6-三乙苯）] 6的组合，开发了基于竞争测定法的植酸比色传感系统+作为肌醇六磷酸的受体单元和11-巯基癸基磷酸功能化的金纳米粒子作为报告单元。该检测系统的检测极限比色度探针报道的灵敏度高约100倍，并且与以前的荧光探针的高灵敏度兼容。所提出的传感系统可以用肉眼轻松检测小于300 nM的肌醇六磷酸。与以前的传感系统不同，此设计对多种磷酸盐衍生物（包括ATP，焦磷酸盐和肌醇三磷酸酯）提供了高的肌醇六磷酸选择性，并且在宽的pH范围内都能很好地发挥作用。

  DOI：

  10.1016/j.tetlet.2013.07.063
• 作为产物：
  描述：

  二甲基吡啶胺 、 1,3,5-tris(chloromethyl)-2,4,6-triethylbenzene 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以60%的产率得到1,3,5-tris[bis(pyridine-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene
  参考文献：
  名称：

  Trinuclear Copper(II) Complex Showing High Selectivity for the Hydrolysis of 2‘−5‘ over 3‘−5‘ for UpU and 3‘−5‘ over 2‘−5‘ for ApA Ribonucleotides

  摘要：

  The cooperative action of multiple Cu(II) nuclear centers is shown to be effective and selective in the hydrolysis of 2'-5' and 3'-5' ribonucleotides. Reported herein is the specific catalysis by two trinuclear Cu(II) complexes of L3A and L3B. Pseudo first-order kinetic studies reveal that the L3A trinuclear Cu(II) complex effects hydrolysis of Up(2'-5')U with a rate constant of 28 x 10(-4) min(-1) and Up(3'-5')U with a rate constant of 0.5 x 10(-4) min(-1). The hydrolyses of Ap(3'-5')A and Ap(2'-5')A proceed with rate constants of 24 x 10(-4) min(-1) and 0.5 x 10(-4) min(-1) respectively. The L3A trinuclear Cu(II) complex demonstrates high specificity for Up(2'-5')U and Ap(3'-5')A. Similar studies with the more rigid L3B trinuclear Cu(II) complex shows no selectivity and yields lower rate constants for hydrolysis. The selectivity observed with the L3A ligand is attributed to the geometry of the ligand-bound diribonucleotide which ultimately dictates the proximity of the attacking hydroxyl and the phosphoester to a Cu(II) center for activation and subsequent hydrolysis.

  DOI：

  10.1021/ja020877t

文献信息

• Influence of the spatial distribution of copper sites on the selectivity of the oxygen reduction reaction
  作者：N. W. G. Smits、D. Rademaker、A. I. Konovalov、M. A. Siegler、D. G. H. Hetterscheid

  DOI：10.1039/d1dt03296h

  日期：——

  species. Although the oxygen reduction activity of the trinuclear complexes is lower than that of mononuclear Cu-bmpa, the selectivity of the copper mediated oxygen reduction was significantly enhanced towards the 4-electron process due to a cooperative effect between three copper centers that have been positioned in close proximity. These results indicate that the cooperativity between metal ions within

  向氢经济迈进提高了对用于氧还原反应的负担得起且高效的催化剂的需求。Cu-bmpa (bmpa = bis(2-picolyl)amine) 显示出具有中等活性，但对于将氧 4 电子还原为水的选择性较差。为了提高对水形成的选择性，研究了单个三核配合物中三个Cu-bmpa结合位点的协同作用。三核位点存在下的催化电流较低，这可能是由于结构更刚性，因此催化物质的重组能更高和/或扩散速率更慢。虽然三核配合物的氧还原活性低于单核Cu-bmpa，由于三个铜中心之间的协同效应，铜介导的氧还原对 4 电子过程的选择性显着提高。这些结果表明，仿生位点内金属离子之间的协同作用可以大大提高ORR的选择性。
• Development of a highly selective colorimetric pyrophosphate probe based on a metal complex and gold nanoparticles: change in selectivity induced by metal ion tuning of the metal complex
  作者：Sudeok Kim、Min Sik Eom、Soyeon Yoo、Min Su Han

  DOI：10.1016/j.tetlet.2015.07.020

  日期：2015.8

  In this study, we developed a calorimetric sensing system for pyrophosphate (PPi) with a probe composed of phosphate functionalized-gold nanoparticles as the reporter unit and [Cu-3(1,3,5-tris[bis (pyridine-2-ylmethyDaminomethyl]-2,4,6-triethylbenzene)(6+) (2) as the receptor unit. The proposed probe allows easy detection of PPi with the naked eye, and selectively recognizes PPi with a detection limit of 320 nM. Unlike previous AuNP based-PPi sensing systems, this probe exhibits high selectivity for PPi over various other phosphate derivatives including adenosine triphosphate (ATP) and adenosine diphosphate (ADP). (C) 2015 Published by Elsevier Ltd.
• Walsdorff, Christian; Park, Sunyoung; Kim, Jeongho, Journal of the Chemical Society, Dalton Transactions, 1999, # 6, p. 923 - 929
  作者：Walsdorff, Christian、Park, Sunyoung、Kim, Jeongho、Heo, Jungseok、Park, Ki-Min、Oh, Jinho、Kim, Oon

  DOI：——

  日期：——