2-{[bis(2-pyridinylmethyl)amino]methyl}-4-methyl-6-{[(2-pyridinylmethyl)amino]methyl}phenol | 585527-36-2

• 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: 2-{[bis(2-pyridinylmethyl)amino]methyl}-4-methyl-6-{[(2-pyridinylmethyl)amino]methyl}phenol
• 英文别名: 2-{[bis(2-pyridylmethyl)amino]methyl}-4-methyl-6-{[(2-pyridylmethyl)amino]methyl}phenol；2-[bis-(2-pyridylmethyl)aminomethyl]-6-[(2-pyridylmethyl)aminomethyl]-4-methylphenol；2-[[Bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol；2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol
• CAS: 585527-36-2
• 化学式: C₂₇H₂₉N₅O
• 分子量: 439.56
• InChiKey: LFVGIHOVRDIBGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-{[bis(2-pyridinylmethyl)amino]methyl}-4-methyl-6-{[(2-pyridinylmethyl)amino]methyl}phenol 在 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-{[bis(pyridin-2-ylmethyl)amino]methyl}-6-{[[[2-hydroxy-5-methyl-3-[[[4-[(pyren-1-ylmethyl)amino]butyl]amino]methyl]phenyl]methyl](pyridin-2-ylmethyl)amino]methyl}-4-methylphenol
  参考文献：
  名称：

  双核Fe III Zn II水解酶仿生物中的第二球效应：调节结合和反应性。

  摘要：

  本文中，我们报道了两种双核Fe III Zn II配合物[Fe III Zn II LP1]（1）和[Fe III Zn II LP2]（2）的合成和表征，其中LP1和LP2是包含一个和两个的共轭体系基分别通过二胺-HN（CH 2）4 NH–间隔基连接至众所周知的N 5 O 2-供体H 2 L配体（H 2 L = 2-双{[（（2-吡啶基甲基）氨基甲基] -6-[（2-羟基苄基）（2-吡啶基甲基）]氨基甲基} -4-甲基苯酚）。络合物[Fe III Zn为了比较的目的，在本研究中包括II L1]（3），其中将H 2 L修饰为H 2 L1，并且在末端酚基上连接有羰基。1配合物1和2在固态和溶液中均具有令人满意的特性。乙腈溶液中1和3的扩展X射线吸收精细结构数据表明，以3的固态观察到的多重桥接结构保留在溶液中。1和2的电位和UV​​-Vis滴定示出了质子化氨基基团和配位水分子之间的静电相互作用显著减小在p

  DOI：

  10.1021/acs.inorgchem.7b02384
• 作为产物：
  描述：

  3-(氯甲基)-2-羟基-5-甲基苯甲醛 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 4.0h， 生成 2-{[bis(2-pyridinylmethyl)amino]methyl}-4-methyl-6-{[(2-pyridinylmethyl)amino]methyl}phenol
  参考文献：
  名称：

  新型不对称双核配体 Hpy3asym 的 Dicopper(II) 复合物作为儿茶酚氧化酶的结构模型

  摘要：

  设计了新的不对称双核配体 2-{[bis(2-pyridinylmethyl)amino]methyl}-4-methyl-6-{[(2-pyridinylmethyl)amino]methyl}phenol (Hpy3asym) 以模拟-3 铜蛋白的活性位点。这种基于苯酚的“末端”隔室配体具有一个三齿臂和一个双齿臂，分别连接到酚环的 2 位和 6 位。已获得具有该配体 [Cu2(py3asym)(H2O)1.5(NO3)2]NO3 的双核硝酸铜 (II) 配合物并对其进行结构表征。在该复合物中，两个铜离子都具有扭曲的八面体几何形状，并被去质子化配体的酚氧原子内源性桥接。该配合物显示供体-原子不对称性，由用于 Cu1 离子的 N3O3 供体组和用于 Cu2 离子的 N2O4 供体组组成。电化学，讨论了配合物的磁性和光谱特性。(© Wiley-VCH Verlag GmbH & Co. KGaA

  DOI：

  10.1002/ejic.200200650

文献信息

• Synthesis, characterization and structure of a new dinickel(II) complex as model for urease
  作者：Alessandra Greatti、Marcos Aires de Brito、Adailton João Bortoluzzi、Augusto Susin Ceccato

  DOI：10.1016/j.molstruc.2003.10.008

  日期：2004.1

  Abstract A new dinuclear nickel(II) complex [Ni 2 (L)(OAc) 2 (H 2 O)]·ClO 4 ·H 2 O 1 with the unsymmetrical N 5 O donor ligand 2-[bis(2-pyridylmethyl)amino]methyl}-4-methyl-6-[2-pyridylmethyl)amino]methyl}phenol (HL) has been synthesized and characterized by conductivity, UV–Vis–NIR and IR spectroscopy, electrochemical methods and X-ray crystallography. Complex 1 crystallizes as blue crystals in

  摘要 一种新的双核镍 (II) 配合物 [Ni 2 (L)(OAc) 2 (H 2 O)]·ClO 4 ·H 2 O 1 与不对称 N 5 O 供体配体 2-[bis(2-pyridylmethyl )amino]methyl}-4-methyl-6-[2-pyridylmethyl)amino]methyl}phenol (HL) 已被合成并通过电导率、UV-Vis-NIR 和 IR 光谱、电化学方法和 X 射线晶体学表征. 配合物1在单斜晶系中结晶为蓝色晶体，空间群I 2/ a a =21.171(4) A, b =12.147(2) A, c =29.771(6) A, β =99.67(3)°, V =7547(2) A 3 和 Z =8。在该复合物中，两种镍离子都具有扭曲的八面体几何形状。镍中心由去质子化配体的酚氧原子内源性桥接，也由作为外源性桥接的两个乙酸酯基团桥接。作为末端配体的水分子与
• Development of a biomimetic chitosan film-coated gold electrode for determination of dopamine in the presence of ascorbic acid and uric acid
  作者：Suellen Cadorin Fernandes、Iolanda Cruz Vieira、Rosely A. Peralta、Ademir Neves

  DOI：10.1016/j.electacta.2010.06.062

  日期：2010.9

  A gold electrode surface was modified using a dinuclear copper complex [Cu-2(II) (Ldtb)(mu-OCH3)](BPh4) and then coated with a chitosan film. This biomimetic polymer film-coated electrode was employed to eliminate the interference from ascorbic acid and uric acid in the sensitive and selective determination of dopamine. The optimized conditions obtained for the biomimetic electrode were 0.1 M phosphate buffer solution (pH 8.0), complex concentration of 2.0 x 10(-4) M, 0.1% of chitosan and 0.25% of glyoxal. Under the optimum conditions, the calibration curve was linear in the concentration range of 4.99 x 10(-7) to 1.92 x 10(-5) M, and detection and quantification limits were 3.57 x 10(-7) M and 1.07 x 10(-6) M. respectively. The recovery study gave values of 95.2-102.6%. The lifetime of this biomimetic sensor showed apparent loss of activity after 70 determinations. The results obtained with the modified electrode for dopamine quantification in the injection solution matrix were in good agreement with those of the pharmacopoeia method. (C) 2010 Elsevier Ltd. All rights reserved.
• A mixed-valence diacetate-bridged Mn^II–Mn^IIIcomplex incorporating a bridging phenolate ligand
  作者：Adailton J. Bortoluzzi、Ademir Neves、Ricardo A. A. Couto、Rosely A. Peralta

  DOI：10.1107/s0108270105039910

  日期：2006.2.15

  The synthesis and characterization of a new unsymmetrical dinucleating N,O-donor ligand, 2-[N,N-bis(2-pyridylmethyl)aminomethyl]-6-[N-(3,5-di-tert-butyl-2-oxidobenzyl)-N-(2-pyridylamino)aminomethyl]-4-methylphenol (H(2)Ldtb), as well as the X-ray crystal structure of its corresponding mixed-valence diacetate-bridged manganese complex, di-mu-acetato-mu-2-[ N,N- bis(2-pyridylmethyl)aminomethyl]-6-[ N-(3,5-di-tert-butyl-2-oxidobenzyl)-N-(2-pyridylamino)aminomethyl]-4-methyl-phenolato}dimanganese(II,III) tetraphenylborate, [Mn-II-Mn-III(C42H49N5O2)(C2H3O2)(2)](C24H20B), are reported. The complex may be regarded as an interesting structural model for the mixed-valence Mn-II-Mn-III state of manganese catalase.
• Second-Sphere Effects in Dinuclear Fe^IIIZn^IIHydrolase Biomimetics: Tuning Binding and Reactivity Properties
  作者：Tiago Pacheco Camargo、Ademir Neves、Rosely A. Peralta、Cláudia Chaves、Elene C. P. Maia、Edgar H. Lizarazo-Jaimes、Dawidson A. Gomes、Tiago Bortolotto、Douglas R. Norberto、Hernán Terenzi、David L. Tierney、Gerhard Schenk

  DOI：10.1021/acs.inorgchem.7b02384

  日期：2018.1.2

  diaminopyrene of the ligands H2LP1 and H2LP2. In addition, the introduction of the pyrene motifs in 1 and 2 enhanced their activity toward DNA and as effective antitumor drugs, although the biochemical mechanism of the latter effect is currently under investigation. These complexes represent interesting examples of how to promote an increase in the activity of traditional artificial metal nucleases by

  本文中，我们报道了两种双核Fe III Zn II配合物[Fe III Zn II LP1]（1）和[Fe III Zn II LP2]（2）的合成和表征，其中LP1和LP2是包含一个和两个的共轭体系基分别通过二胺-HN（CH 2）4 NH–间隔基连接至众所周知的N 5 O 2-供体H 2 L配体（H 2 L = 2-双[（（2-吡啶基甲基）氨基甲基] -6-[（2-羟基苄基）（2-吡啶基甲基）]氨基甲基} -4-甲基苯酚）。络合物[Fe III Zn为了比较的目的，在本研究中包括II L1]（3），其中将H 2 L修饰为H 2 L1，并且在末端酚基上连接有羰基。1配合物1和2在固态和溶液中均具有令人满意的特性。乙腈溶液中1和3的扩展X射线吸收精细结构数据表明，以3的固态观察到的多重桥接结构保留在溶液中。1和2的电位和UV​​-Vis滴定示出了质子化氨基基团和配位水分子之间的静电相互作用显著减小在p
• The Dicopper( <scp>II</scp> ) Complex of the Novel Asymmetric Dinucleating Ligand Hpy3asym as a Structural Model of Catechol Oxidase
  作者：Iryna A. Koval、Daniel Pursche、Arno F. Stassen、Patrick Gamez、Bernt Krebs、Jan Reedijk

  DOI：10.1002/ejic.200200650

  日期：2003.5

  copper(II) nitrate complex with this ligand [Cu2(py3asym)(H2O)1.5(NO3)2]NO3 has been obtained and structurally characterized. In this complex both copper ions have a distorted octahedral geometry and are endogenously bridged by the phenolic oxygen atom of the deprotonated ligand. The complex shows a donor-atom asymmetry that consists of an N3O3 donor set for the Cu1 ion and an N2O4 donor set for the

  设计了新的不对称双核配体 2-[bis(2-pyridinylmethyl)amino]methyl}-4-methyl-6-[(2-pyridinylmethyl)amino]methyl}phenol (Hpy3asym) 以模拟-3 铜蛋白的活性位点。这种基于苯酚的“末端”隔室配体具有一个三齿臂和一个双齿臂，分别连接到酚环的 2 位和 6 位。已获得具有该配体 [Cu2(py3asym)(H2O)1.5(NO3)2]NO3 的双核硝酸铜 (II) 配合物并对其进行结构表征。在该复合物中，两个铜离子都具有扭曲的八面体几何形状，并被去质子化配体的酚氧原子内源性桥接。该配合物显示供体-原子不对称性，由用于 Cu1 离子的 N3O3 供体组和用于 Cu2 离子的 N2O4 供体组组成。电化学，讨论了配合物的磁性和光谱特性。(© Wiley-VCH Verlag GmbH & Co. KGaA