tris[2-(5-bromosalicylideneamino)ethyl]amine | 142066-85-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: tris[2-(5-bromosalicylideneamino)ethyl]amine
• 英文别名: tris[(5-bromosalicylidene)aminoethyl]amine；tris-((2-hydroxy-5-bromobenzylidene)-aminoethyl)amine；tris(2-(2-hydroxy-5-bromobenzylideneamino)ethyl)amine；Tren5BrSal；TrenBrSal；2-[2-[bis[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-bromophenol
• CAS: 142066-85-1
• 化学式: C₂₇H₂₇Br₃N₄O₃
• 分子量: 695.248
• InChiKey: BAIMDIAKQKYMER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tris[2-(5-bromosalicylideneamino)ethyl]amine 在 sodium tetrahydroborate 作用下， 生成 tris(((2-hydroxy-5-bromobenzyl)amino)ethyl)amine
  参考文献：
  名称：

  通过对称变化将单离子磁体的各向异性势垒从准D 5h切换为准O h †

  摘要：

  可逆的单晶至单晶转换用于显着改变单离子磁体的弛豫行为。[Zn–Dy–Zn]络合物的Dy III位点的配位几何形状从五角双锥体（准D 5h）转变为八面体（准O h），引起了305 cm -1的能垒改变（439 K）分别忽略不计。从头算计算表明，根据实验结果，理想的D 5h –Dy III具有理想的轴心且具有明显的能垒。

  DOI：

  10.1039/c3sc50843a
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 5-溴水杨醛 以 水 为溶剂， 生成 tris[2-(5-bromosalicylideneamino)ethyl]amine
  参考文献：
  名称：

  通过对称变化将单离子磁体的各向异性势垒从准D 5h切换为准O h †

  摘要：

  可逆的单晶至单晶转换用于显着改变单离子磁体的弛豫行为。[Zn–Dy–Zn]络合物的Dy III位点的配位几何形状从五角双锥体（准D 5h）转变为八面体（准O h），引起了305 cm -1的能垒改变（439 K）分别忽略不计。从头算计算表明，根据实验结果，理想的D 5h –Dy III具有理想的轴心且具有明显的能垒。

  DOI：

  10.1039/c3sc50843a

文献信息

• Tripodal Iminophenolate Ligand Complexes of Gallium(III), Indium(III), and Thallium(III)
  作者：Mélanie Figuet、Marie Thérèse Averbuch-Pouchot、Amaury du Moulinet d’Hardemare、Olivier Jarjayes

  DOI：10.1002/1099-0682(200108)2001:8<2089::aid-ejic2089>3.0.co;2-b

  日期：2001.8

  being involved in the chelation even for the [Tl(L)] complex. NMR studies reveal that the intact and rigid structures of the complexes are maintained in solution. For the [Tl(L)] complex, long-range thallium isotope effect on the chemical shift (δH and δC) and on the coupling constants (JTl-H and JTl-C) has been observed, confirming a strong and stable bond between TlIII and H3L.

  通过处理三（氨基乙基）胺和 5-溴水杨醛的甲醇溶液制备了多齿三足席夫碱配体 H3L。该配体及其与 13 族金属离子（GaIII、InIII 和 TlIII）的配合物已通过元素分析、核磁共振光谱、FAB+-MS 和 X 射线衍射分析进行表征。配体未在固态下预先组织，在所有情况下都充当六齿 N3O3 配体以形成八面体结构，即使对于 [Tl(L)] 络合物，顶端的氮也不参与螯合。核磁共振研究表明，复合物的完整和刚性结构保持在溶液中。对于 [Tl(L)] 复合物，已观察到长程铊同位素对化学位移（δH 和 δC）和耦合常数（JTl-H 和 JTl-C）的影响，
• Bhattacharyya, Pravat; Parr, Jonathan; Slawin, Alexandra M. Z., Journal of the Chemical Society, Dalton Transactions, 1998, # 19, p. 3263 - 3267
  作者：Bhattacharyya, Pravat、Parr, Jonathan、Slawin, Alexandra M. Z.

  DOI：——

  日期：——
• Multidentate ligands for the synthesis of multi-metallic complexes
  作者：Abdullahi Mustapha、Krystoff Busch、Marta Patykiewicz、Alistair Apedaile、John Reglinski、Alan R. Kennedy、Timothy J. Prior

  DOI：10.1016/j.poly.2007.11.016

  日期：2008.2

  The reaction of the Schiff base species tris-((2-hydroxybenzylidene)aminoethyl)-amine (TrenSal) and tris-((2-hydroxy-5-bromobenzylidene)aminoethyl)amine (Tren5BrSal) with the acetates of nickel and zinc are reported. Two trimetallic complexes (M3L2) of Tren5BrSal with nickel and zinc have been crystallographically characterised. The attempted crystallisation of bis-(tris((2-hydroxybenzylidene)aminoethyl)amine nickel) nickel from solutions containing TMEDA lead to the production of two novel complexes: namely a nickel adduct of the partially hydrolysed TrenSal ligand and an interesting nickel bromide-carbonate salt. [(TrenSal)(2)Ni-3] is reacted with PbCl2 to form a novel tetrametallic complex, [((TrenSal)Ni}Pb(NC5H5)Cl](2), where a Pb2Cl2 moiety replaces the nickel at the core of the complex. Extending the study to include the related hexadentate ligand, 1,1, 1-tris-((2-hydroxybenzylidene)-aminomethyl)propane (TEtSal), we were able to isolate and characterise both [(TEtSal)2Ni3] and [(TEtSal)Ni}(2)Pb]. (c) 2007 Elsevier Ltd. All rights reserved.
• Multidentate Ligands for the Synthesis of Multimetallic Complexes. 2. Formation of a Planar Cu₄OH Motif
  作者：Abdullahi Mustapha、John Reglinski、Alan R. Kennedy、David R. Armstrong、Jörg Sassmannshausen、Mark Murrie

  DOI：10.1021/ic100594n

  日期：2010.6.21

  The reaction of the multidentate Schiff base species TrenSal, TrenBrSal, and TEtSal with copper acetate is reported. The hep, tadentate ligands generate a tetrametallic L2Cu4OH motif that contains an internalized hydroxide anion. In contrast, the hexadentate TEtSal ligand is found to form an open trimetallic motif. The importance of L2Cu4OH to the family of copper complexes with an endohedral hydroxide anion is discussed. [(TrenBrSal)2Cu(4)OH][OAc] is analyzed by temperature-dependent magnetic measurements.
• Synthesis, crystal structures, and antibacterial property of tris[2-(5-bromosalicylideneamino)ethyl]amine and its manganese(III) complex
  作者：Y. M. Hao

  DOI：10.1134/s1070328415010030

  日期：2015.1

  A tripodal Schiff base tris[2-(5-bromosalicylideneamino)ethyl]amine (H3L) was prepared by the reaction of 5-bromosalicylaldehyde with tris(2-aminoethyl)amine. Reaction with the Schiff base with manganese perchlorate in methanol resulted a mononuclear manganese(III) complex (I). The crystal structures of the Schiff base and the complex have been determined by single crystal X-ray diffraction (CIF files

  通过使5-溴水杨醛与三（2-氨基乙基）胺反应制备三脚架席夫碱三[2-（5-溴水杨基氨基）乙基]胺（H 3 L）。与席夫碱与高氯酸锰在甲醇中的反应生成单核锰（III）配合物（I）。Schiff碱和配合物的晶体结构已经通过单晶X射线衍射确定（CIF文件，CCDC号1007902（H 3 L）； 1007983（I））。席夫碱通过所有酚盐O和亚氨基N原子配位至Mn原子。该配合物的Mn原子处于八面体配位状态。已经对某些细菌和酵母菌测试了抗菌性能。