N,N'-bis(3-pyridylmethyl)-1,4-benzenebis(methylamine) | 502612-25-1

• 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: N,N'-bis(3-pyridylmethyl)-1,4-benzenebis(methylamine)
• 英文别名: N,N'-bis(3-pyridylmethyl)-1,4-benzenedimethylamine；US9205085, Msx-160；N-(pyridin-3-ylmethyl)-1-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]methanamine
• CAS: 502612-25-1
• 化学式: C₂₀H₂₂N₄
• 分子量: 318.421
• InChiKey: GQBINLCCUFMOAA-UHFFFAOYSA-N

物化性质

• 熔点：
  67 °C
• 沸点：
  501.2±45.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cadmium(II) bromide tetrahydrate 、 N,N'-bis(3-pyridylmethyl)-1,4-benzenebis(methylamine) 以 甲醇 、 水 为溶剂， 以55%的产率得到[Cd2(N,N'-bis(3-pyridylmethyl)-1,4-benzenedimethylamine)Br4]
  参考文献：
  名称：

  Syntheses, crystal structures and properties of Co(II) complexes with N,N′-bis(3-pyridylmethyl)-1,4-benzenedimethyleneimine (bpb), and Cd(II), Hg(II) complexes with reduced bpb

  摘要：

  Five novel coordination polymers, [Co(bpb)(2)Cl-2] (1), [Co(bpb)2(SCN)(2)] (2), [Cd(H(4)bpb)(0.5)(dmf)(NO3)2] (3), [Cd-2(H(4)bpb)Br-4] (4), and [Hg-2(H(4)bpb)I-4] (5) [bpb = N,N'-bis(3 -pyridylmethyl)-1,4-benzenedimethyleneimine, H(4)bpb=N,N'-bis(3-pyridylmethyl)-1,4-benzenedimethylamine], were synthesized and their structures were determined by X-ray crystallography. In the solid state, complex 1 is a 1D hinged chain, while 2 has 2D network structure with the ligand bpb serving as a bridging ligand using its two pyridyl N atoms. The imine N atoms keep free of coordination and bpb acts as a bidentate ligand in both 1 and 2. Complexes 3, 4, and 5 with reduced bpb ligand, i.e. H(4)bpb, show similar 2D network structure, in which ligand H(4)bpb serves as a tetradentate ligand. Thermogravimetric analyses for complexes 1-5 were carried out and found that they have high thermal stability. The magnetic susceptibilities of compounds 1, 2 were measured over a temperature range of 75-300 K. (C) 2004 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2004.03.005
• 作为产物：
  描述：

  3-氨甲基吡啶 、 1,4-二(溴甲基)苯 以 四氢呋喃 为溶剂， 以42%的产率得到N,N'-bis(3-pyridylmethyl)-1,4-benzenebis(methylamine)
  参考文献：
  名称：

  单、双、三和四（溴甲基）苯的多齿（吡啶基烷基）胺的一般一步合成：超分子组装的潜在配体

  摘要：

  新的多齿含氮配体的合成一直受到关注。在本报告中，描述了一系列（吡啶基烷基）胺衍生物的一步合成。报道的化合物含有吡啶环和sp 3 杂化氮作为潜在的供体位点。一般的合成方法包括单-、双-、三-或四-(溴甲基)苯与过量的(吡啶基甲基)胺在四氢呋喃中的室温反应。产物可以通过蒸馏、色谱法或重结晶进行纯化，并以相当高的收率获得。这种合成方法的优点是程序简单且起始材料易于获得。

  DOI：

  10.1055/s-2007-990904

文献信息

• Syntheses, Crystal Structures and Electrospray Mass Spectra of Coordination Polymers of an <i>N</i> , <i>N</i> ′‐Bis(3‐pyridylmethyl)‐1,4‐benzenebis(methylamine) Ligand and Silver( <scp>I</scp> ) Salts
  作者：Hui‐Fang Zhu、Ling‐Yan Kong、Taka‐aki Okamura、Jian Fan、Wei‐Yin Sun、Norikazu Ueyama

  DOI：10.1002/ejic.200300623

  日期：2004.4

  (L2) with silver(I) perchlorate. It has a novel 1D chain structure, which is different from that of 4 due to the different flexibility of the ligands L1 and L2. All of these complexes form 2D or 3D structures stabilized by hydrogen bonding, C−H···π and π-π interactions. The results revealed that the nature of the counteranions and the flexibility of the ligand have an impact on the structure of the supramolecular

  四个新的协调框架 [Ag2(L1)](NO3)2·2H2O}n (1), [Ag(L1)](CF3COO)·2.5H2O}n (2), [Ag2(L1)2] [1,4-C6H4(COO)2]·7H2O}n(3)和[Ag(L1)]ClO4}n(4)由N,N'-双(3-吡啶基甲基)-反应得到1,4-苯双(甲胺) (L1) 与相应的银 (I) 盐。X 射线衍射分析表明配合物 1 具有无限的一维链结构，其中 L1 作为四齿配体。配合物 2、3 和 4 具有二维网络结构，这些配合物中的 L1 配体采用两种不同的配位方式：一种配体用其四个 N 原子配位四个银（I）原子，另一种配体仅连接两个银（I）原子与苯双（甲胺）单元的两个 N 原子，而吡啶单元保持无配位。配合物 [Ag(L2)]ClO4}n (5) 由 N 反应合成，N'-双（3-吡啶基甲基）-1,4-苯双（亚甲基胺）（L2）与高氯酸银（
• [EN] TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION<br/>[FR] COMPOSÉS CONTENANT DES ACIDES AMINÉS TRICYCLIQUES POUR LE TRAITEMENT OU LA PRÉVENTION DE SYMPTÔMES ASSOCIÉS À UN DYSFONCTIONNEMENT ENDOCRINIEN
  申请人：UNIV EMORY

  公开号：WO2013070660A1

  公开（公告）日：2013-05-16

  The disclosure provides methods of use of certain compounds that are useful for treating certain symptoms of endocrine disturbances, and in particular those associated with hot flashes.

  本公开提供了使用某些化合物治疗内分泌紊乱的某些症状的方法，特别是与潮热相关的症状的方法。
• Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction
  申请人：Emory University

  公开号：US10632120B2

  公开（公告）日：2020-04-28

  The disclosure provides methods of use of certain compounds that are useful for treating certain symptoms of endocrine disturbances, and in particular those associated with hot flashes.

  本公开提供了某些化合物的使用方法，这些化合物可用于治疗内分泌紊乱的某些症状，尤其是与潮热相关的症状。
• TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION
  申请人：Emory University

  公开号：EP2776387B1

  公开（公告）日：2017-02-01
• CXCR4 antagonists for the treatment of medical disorders
  申请人：Shim Hyunsuk

  公开号：US20070054930A1

  公开（公告）日：2007-03-08

  The invention provides compounds, pharmaceutical compositions and methods of use of certain compounds that are antagonists of the chemokine CXCR4 receptor for the treatment of proliferative conditions mediated by CXCR4 receptors. The compounds provided interfere with the binding of SDF1 to the receptor. These compounds are particularly useful for treating or reducing the severity of hyperproliferative diseases by inhibiting metastasis.