N,N'-(2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine)ethylenediamine | 498568-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N,N'-(2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine)ethylenediamine
• 英文别名: N,N'-[2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine]ethylenediamine；N,N'-(2,4-di[(di-pyridin-2-yl)amine]-1,3,5-triazine)ethylenediamine；N,N'-[2,4-di[(di-pyridin-2-yl)amine]-1,2,5-triazine]ethylenediamine；N,N'-{2,4-di[(dipyridin-2-yl)amine]-1,3,5-triazine}ethylenediamine；opytrizediam；6-N-[2-[[4,6-bis(dipyridin-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N,4-N,4-N-tetrapyridin-2-yl-1,3,5-triazine-2,4,6-triamine
• CAS: 498568-60-8
• 化学式: C₄₈H₃₈N₂₀
• 分子量: 894.964
• InChiKey: CWIZHLSZYSDYCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  68
• 可旋转键数：
  17
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  218
• 氢给体数：
  2
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  zinc(II) nitrate hexahydrate 、 N,N'-(2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine)ethylenediamine 以 甲醇 为溶剂， 以54%的产率得到Zn(N,N'-[2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine]ethylenediamine)(NO3)2
  参考文献：
  名称：

  Solvent control in the synthesis of Zn(II) and Cd(II) supramolecular compounds with N,N′-{2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine}ethylenediamine

  摘要：

  Four novel supramolecular materials ZnL(NO3)(2) (1), CdL(NO3)(2) (2), Zn3L(NO3)(6)center dot CH3CN (3) and Cd3L(NO3)(6)center dot CH3CN (4) have been prepared by the reaction of Zn(II) and Cd(II) nitrate with the ligand N,N'- (2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine) ethylene-diamine (L) using a solvothermal synthetic procedure under autogenous pressure. The solid-state structure of these coordination compounds has been tuned by the crystallisation solvent. In methanol, the mononuclear materials I and 2 are obtained while in acetonitrile, the trinuclear complexes 3 and 4 are formed. The structures of 1-3 have been elucidated by means of single-crystal diffraction. Complex 4 has been isolated as a microcrystalline powder for which the IR and elemental analyses are in agreement with a trinuclear formulation. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.04.030
• 作为产物：
  描述：

  2,2'-二吡啶胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 96.0h， 生成 N,N'-(2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine)ethylenediamine
  参考文献：
  名称：

  New polydentate and polynucleating N-donor ligands from amines and 2,4,6-trichloro-1,3,5-triazine

  摘要：

  An efficient synthesis of a novel class of multidentate polynucleating ligands has been developed based on high-yielding chloride substitutions of 2,4,6-trichloro-1,3,5-triazine by primary and secondary amines. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)01498-3

文献信息

• Novel zigzag 1D coordination polymer from copper(ii) chloride and N,N′-{2,4-di[(di-pyridin-2-yl)amine]-1,3,5-triazine}ethylenediamine exhibiting ferromagnetic interactions
  作者：Paul de Hoog、Patrick Gamez、Olivier Roubeau、Martin Lutz、Willem L. Driessen、Anthony L. Spek、Jan Reedijk

  DOI：10.1039/b206344a

  日期：2003.1.8

  Copper(II) chloride reacts with the polydentate 1,3,5-triazine containing ligand opytrizediam in methanol–THF to form a unique infinite zigzag coordination polymer in which trinuclear copper complexes are bridged by chloride anions, giving rise to five-coordinated ferromagnetically coupled copper pseudo-dimers.

  铜（II），氯化 与多齿反应 1,3,5-三嗪 包含 配体 鸦片化 甲醇-THF形成独特的无限之字形配位 聚合物 其中三核铜络合物被氯离子阴离子桥接，产生五配位的铁磁耦合铜假二聚体。
• Hexanuclear copper(II) complex of a novel poly(pyridine) ligand exhibiting unique long distance ferromagnetic interactions through a nitrato-O,O′ bridge
  作者：Paul de Hoog、Patrick Gamez、Matthias Lüken、Olivier Roubeau、Bernt Krebs、Jan Reedijk

  DOI：10.1016/s0020-1693(03)00428-6

  日期：2004.1

  A novel hexanuclear copper complex [Cu-6(NO3)(12)(opytrizediam)(2)(H2O)][(CH3)(2)CO](0.5)(CH3CHCH2OH)(0.5) (1) with a NO3 bridge has been synthesized by reaction of Cu(NO3)(2)(.)3H(2)O with the new potentially octadentate ligand opytrizediam in n-propanol/ acetone solution (opytrizediam=N,N-2,4-di[(di-pyridin-2-yl)amine]-1,3,5-triazinel ethylenediamine). A single-crystal X-ray diffraction analysis showed the presence of six structurally different copper centres. The coordination spheres of four copper(II) ions are best described as square-pyramidal CuN2O3 chromophores while the two other copper(II) ions are in a trigonal-bipyramidal CuN4O environment. Variable-temperature studies on I revealed a unique ferromagnetic coupling of two copper(II) ions bridged by a didentate nitrate anion and separated by a distance of 6.391(6) Angstrom, with J = 8.6(1) cm(-1). (C) 2003 Elsevier B.V. All rights reserved.
• Moisture-Triggered 1,3,5-Triazine-Based Cu^II Molecular Switch:  a Combined X-ray Single-Crystal and Powder Diffraction Study
  作者：Hélène Casellas、Patrick Gamez、Jan Reedijk、Ilpo Mutikainen、Urho Turpeinen、Norberto Masciocchi、Simona Galli、Angelo Sironi

  DOI：10.1021/ic0509231

  日期：2005.10.1

  A solvothermal synthetic procedure has been exploited to prepare the new [Cu3L(NO3)(6)](n) coordination polymer (1) by reaction of the polydentate N,N'-2,4-di-[(di-pyridin-2-yl)amine]-1,3,5-triazine}ethylenediamine ligand (opytrizediam Q with copper(II) nitrate. 1 has been structurally characterized by means of the conventional X-ray single-crystal diffraction technique. It crystallizes in the monoclinic C2/c space group with a = 16.830(3), b = 20.701(4), c = 18.170(4) angstrom, beta = 113.26(3)degrees, V= 5816(2) angstrom(3), Z = 4. 1 consists of trinuclear Cu3L(NO3)(5) units connected by means of a nitrato-O,O' bridge. The resulting chains are involved in weak interchain head-to-tail pi-pi stacking interactions. In the presence of moisture, 1 is readily converted into the hydrated [Cu3L(NO3)(5)](NO3)center dot H2O form (2). This second phase, monoclinic P2(1)/c, consists of isolated [Cu3L(NO3)(5)](+) and (NO3)(-) ions which accommodate water molecules in the crystal lattice. These subtle chemical and structural modifications accompanying the moisture-triggered 1-to-2 transformation have been demonstrated through a X-ray powder diffraction study. A thermodiffractometric analysis has evidenced that this solid-to-solid transformation is fully reversible, i.e., thermally induced dehydration of 2 restores 1. The analysis of the temperature dependence of the magnetic susceptibility for 2 has revealed very weak ferromagnetic interactions, consistent with the large (CuCu)-Cu-... separation (ca. 7.5 angstrom) in the trinuclear units.