1,3,5-三(吡啶-4-基甲氧基)苯 | 915002-24-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1,3,5-三(吡啶-4-基甲氧基)苯
• 英文名称: 1,3,5-tris(4-pyridylmethoxyl)benzene
• 英文别名: 1,3,5-Tris(pyridin-4-ylmethoxy)benzene；4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
• CAS: 915002-24-3
• 化学式: C₂₄H₂₁N₃O₃
• 分子量: 399.449
• InChiKey: AZJQBTTWDUFHBN-UHFFFAOYSA-N

物化性质

• 沸点：
  628.5±50.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 储存条件：
  2-8℃密封保存

反应信息

• 作为反应物：
  描述：

  1,3,5-三(吡啶-4-基甲氧基)苯 、 mercury dibromide 以 甲醇 、 乙腈 为溶剂， 以82%的产率得到[Hg2(1,3,5-tris(4-pyridylmethoxyl)benzene)Br4]
  参考文献：
  名称：

  Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands

  摘要：

  Seven coordination compounds, [Zn(L-3)Cl-2]center dot MeOH center dot H2O (1), [Mn(L-3)(2)Cl-2]center dot 0.5EtOH center dot 0.5H(2)O (2), [Cu-3(L-2)(2)Cl-6]center dot 2DMF (3), [Cu-3(L-2)(2)Br-6]center dot 4MeOH (4), [Hg-2(L-4)Cl-4] (5), [Hg-2(L-4)Br-4] (6), and [Hg-3(L-4)(2)I-6], H2O (7), were synthesized by the reactions of ligands 1,3,5-tris(3-pyridylmethoxyl) benzene (L3), 1,3,5-tris(2-pyridylmethoxyl) benzene (L-2), and 1,3,5-tris(4-pyridylmethoxyl) benzene (L-4) with the corresponding metal halides. All the structures were established by single-crystal X-ray diffraction analysis. In complexes 1 and 2, L3 acts as a bidentate ligand using two of three pyridyl arms to link two metal atoms to result in two different 1D chain structures. In complexes 3 and 4, each L2 serves as tridentate ligand and connects three Cu(II) atoms to form a 2D network structure. Complexes 5 and 6 have the same framework structure, and L4 acts as a three-connecting ligand to connect Hg(II) atoms to generate a 3D 4-fold interpenetrated framework, while the structure of complex 7 is an infinite 1D chain. The results indicate that the flexible ligands can adopt different conformations and thus can form complexes with varied structures. In addition, the coordination geometry of the metal atom and the species of the halide were found to have great impact on the structure of the complexes. The photoluminescence properties of the complexes were investigated, and the Zn(II), Mn(II) and Hg(II) complexes showed blue emissions in solid state at room temperature.

  DOI：

  10.1021/ic060493u
• 作为产物：
  描述：

  间苯三酚 、 4-氯甲基吡啶盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以20.3%的产率得到1,3,5-三(吡啶-4-基甲氧基)苯
  参考文献：
  名称：

  [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE
  [FR] COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA RAN GTPASE

  摘要：

  以下概述了通式IA、IB和IC的化合物，包括其药用盐、溶剂合物和水合物。这些化合物和包含它们的药物组合物可用于涉及Ran GTP酶的医疗状况。

  公开号：

  WO2019046931A1

文献信息

• Synthesis and Crystal Structure of Cobalt(II) and Cadmium(II) Complexes with the Flexible Tripodal Ligand 1,3,5-Tris(4-pyridylmethoxyl)benzene
  作者：Gang Wu、Zheng-Hua Zhang、Taka-aki Okamura、Wei-Yin Sun、Norikazu Ueyama

  DOI：10.1002/zaac.200600018

  日期：2006.7

  Three complexes [Co(L4)(DMF)(H2O)(NO3)]NO3· DMF·0.5H2O (1), [Co(L4)2(SCN)2]·4CH3OH·H2O (2) and [Cd(L4)(bipy)(H2O)2](ClO4)2·4H2O (3) (DMF = N, N-dimethylformamide, bipy = 4,4′-bipyridine) were synthesized by reactions of ligand 1,3,5-tris(4-pyridylmethoxyl)benzene (L4) with the corresponding metal salts and their structures were determined by X-ray single-crystal structure analysis. Complex 1 crystallizes

  三配合物[Co(L4)(DMF)(H2O)(NO3)]NO3·DMF·0.5H2O(1)、[Co(L4)2(SCN)2]·4CH3OH·H2O(2)和[Cd(L4) ) (bipy) (H2O) 2] (ClO4) 2 · 4H2O (3)（DMF = N, N-二甲基甲酰胺，bipy = 4,4'-联吡啶）通过配体 1,3,5-tris ( 4-吡啶基甲氧基)苯 (L4) 及其相应的金属盐及其结构通过 X 射线单晶结构分析确定。配合物 1 在单斜空间群 C2 / c 中结晶，晶胞参数 a = 26.200 (9) A, b = 17.465 (5) A, c = 17.275 (5) A, β = 118.183 (10) °, V = 6968 (4) ) A3, Z = 8, 而配合物 2 和 3 在具有不同晶胞参数的三斜空间群中结晶, 配合物 2: a = 9.3077 (7) A
• Flexibility in the Self-Assembly of Silver Complexes: Coordination Polymers from Multi-Armed Pyridylmethyleneoxy Ligands
  作者：Peter J. Steel、Christopher M. Fitchett

  DOI：10.1071/ch12464

  日期：——

  The syntheses of new silver complexes of five isomeric bis(pyridylmethyleneoxy)benzenes, differing in the position of substitution on the benzene and pyridine rings, and three isomeric 1,3,5-tris(pyridylmethyleneoxy)benzenes, differing in the position of substitution on the pyridine ring, are described. The structures of six of these complexes were characterised using X-ray crystallography, showing

  五个异构的双（吡啶基亚甲基氧基）苯在苯和吡啶环上的取代位置以及三个异构的1,3,5-三（吡啶基亚甲基氧基）苯的新银配合物的合成描述了吡啶环。使用X射线晶体学表征了其中6种配合物的结构，显示了3吡啶基和4吡啶基臂配体的配位聚合物的形成以及2吡啶基臂配体的离散复合物的形成。在每种情况下，该结构的精确性质还取决于吡啶环的相对取向。
• COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE
  申请人：THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY

  公开号：US20200246365A1

  公开（公告）日：2020-08-06

  Compounds of general formula IA, IB and IC outlined below, including pharmaceutically acceptable salts, solvates and hydrates thereof. Such compounds and pharmaceutical compositions comprising them may be used in medical conditions involving Ran GTPase.
• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE<br/>[FR] COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA RAN GTPASE
  申请人：THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV

  公开号：WO2019046931A1

  公开（公告）日：2019-03-14

  Compounds of general formula IA, IB and IC outlined below, including pharmaceutically acceptable salts, solvates and hydrates thereof. Such compounds and pharmaceutical compositions comprising them may be used in medical conditions involving Ran GTPase.

  以下概述了通式IA、IB和IC的化合物，包括其药用盐、溶剂合物和水合物。这些化合物和包含它们的药物组合物可用于涉及Ran GTP酶的医疗状况。
• Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands
  作者：Gang Wu、Xiao-Feng Wang、Taka-aki Okamura、Wei-Yin Sun、Norikazu Ueyama

  DOI：10.1021/ic060493u

  日期：2006.10.1

  Seven coordination compounds, [Zn(L-3)Cl-2]center dot MeOH center dot H2O (1), [Mn(L-3)(2)Cl-2]center dot 0.5EtOH center dot 0.5H(2)O (2), [Cu-3(L-2)(2)Cl-6]center dot 2DMF (3), [Cu-3(L-2)(2)Br-6]center dot 4MeOH (4), [Hg-2(L-4)Cl-4] (5), [Hg-2(L-4)Br-4] (6), and [Hg-3(L-4)(2)I-6], H2O (7), were synthesized by the reactions of ligands 1,3,5-tris(3-pyridylmethoxyl) benzene (L3), 1,3,5-tris(2-pyridylmethoxyl) benzene (L-2), and 1,3,5-tris(4-pyridylmethoxyl) benzene (L-4) with the corresponding metal halides. All the structures were established by single-crystal X-ray diffraction analysis. In complexes 1 and 2, L3 acts as a bidentate ligand using two of three pyridyl arms to link two metal atoms to result in two different 1D chain structures. In complexes 3 and 4, each L2 serves as tridentate ligand and connects three Cu(II) atoms to form a 2D network structure. Complexes 5 and 6 have the same framework structure, and L4 acts as a three-connecting ligand to connect Hg(II) atoms to generate a 3D 4-fold interpenetrated framework, while the structure of complex 7 is an infinite 1D chain. The results indicate that the flexible ligands can adopt different conformations and thus can form complexes with varied structures. In addition, the coordination geometry of the metal atom and the species of the halide were found to have great impact on the structure of the complexes. The photoluminescence properties of the complexes were investigated, and the Zn(II), Mn(II) and Hg(II) complexes showed blue emissions in solid state at room temperature.