N,N'-bis[2-carboxybenzomethyl]-N,N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol

• 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[2-carboxybenzomethyl]-N,N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol
• 英文别名: N,N′-bis[2-carboxybenzomethyl]-N,N′-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol；2-[[[3-[(2-Carboxyphenyl)methyl-(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]-(pyridin-2-ylmethyl)amino]methyl]benzoic acid；2-[[[3-[(2-carboxyphenyl)methyl-(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]-(pyridin-2-ylmethyl)amino]methyl]benzoic acid
• 化学式: C₃₁H₃₂N₄O₅
• 分子量: 540.619
• InChiKey: YPBHEPQHVNTBON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  40
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N'-bis[2-carboxybenzomethyl]-N,N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol 在 sodium hydroxide 、 zinc(II) chloride 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以80%的产率得到[Zn₂(cpdp)(H₂O)₂]Cl
  参考文献：
  名称：

  Linking PO43− and HAsO42− anions with a dinuclear [ZnII2] complex: Formation and stabilization of novel decanuclear metallomacrocyclic [ZnII10] and tetranuclear [ZnII4] clusters

  摘要：

  The linkage of PO43- and HAsO42--anions with a newly synthesized five-coordinate dinuclear zinc complex, [Zn-2(cpdp)(H2O)(2)]Cl (1) [H(3)cpdp =N,N'-bis[2-carboxybenzomethyl]-N,N'-bis[2-pyridylmethyl]-1,3diaminopropan-2-ol], has been explored. In methanol-water, the reaction of 1 with Na2HPO4 center dot 2H(2)O and Na2HAsO4 center dot 7H(2)O/NaBr separately, at ambient temperature, yielded the novel phosphate-bridged decanuclear zinc cluster, (H3O)(4)[Zn-10(cPdP)(4)(mu(5)-PO4)(2)(H2O)(6)](6 center dot Cl)center dot 53H(2)O (2) and hydrogen arsenate bridged tetranuclear zinc cluster, Na-2[Zn-4(cpdp)(2)(mu(4)-HAsO4)]ClBr center dot 13H(2)O (3), respectively. Analysis of the single crystal X-ray structure discloses that the metallic core of cluster 2 entails eight distorted trigonal bipyramidal and two distorted octahedral zinc ions, displaying a mu(5):eta(2):eta(1):eta(1):eta 1 bridging mode of two POi-groups. The metallic core of cluster 3 holds four distorted trigonal bipyramidal zinc ions, showing a mu(4):eta(1):eta(1):eta(1):eta 1 bridging mode of the HAsO42- group. In solution, UV-Vis titration spectra of complex 1 upon increasing the concentration of the PO43- and HAsO(4)(2-)anions show a significant binding-induced increase in the absorption intensities of 1, accompanied by a substantial red shift. Additionally, the integrity of all three zinc assemblies has been confirmed by H-1 and C-13 NMR spectroscopic data in solution. The thermal behaviors of 1, 2 and 3 have been studied by thermogravimetric analysis (TGA). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2016.09.064

文献信息

• Synthesis, structure and properties of a novel self-assembled tetranuclear copper(II) complex derived from carboxylate-based multidentate ligand
  作者：Nityananda Dutta、Shobhraj Haldar、Avishek Majumder、Gonela Vijaykumar、Luca Carrella、Manindranath Bera

  DOI：10.1016/j.inoche.2020.108208

  日期：2020.11

  multidentate ligand, H3cpdp [H3cpdp = N,N'-Bis[2-carboxybenzomethyl]-N,N'-Bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol; adip = adipate], has been synthesized and fully characterized. Complex 1 has been synthesized by carrying out reaction of ligand H3cpdp with stoichiometric amounts of CuCl2·2H2O/Na2(CH2CH2COO)2 in methanol-water in the presence of NaOH at room temperature. The solid state structure of 1 consists

  摘要 一种新型四核铜(II)配合物，[Cu(H2O)5][Cu4(cpdp)2(adip)]ClBr∙2CH3OH·8 (1) 的羧酸盐对称多齿配体，H3cpdp [H3cpdp = N,N '-双[2-羧基苯甲甲基]-N,N'-双[2-吡啶甲基]-1,3-二氨基丙-2-醇；adip = 己二酸]，已被合成并充分表征。配合物 1 通过配体 H3cpdp 与化学计量的 CuCl2·2 /Na2(CH2CH2COO)2 在甲醇-水中在 NaOH 存在下在室温下反应合成。1 的固态结构由 [Cu4(μ4-adip)] 核心单元组成，该单元由两个多齿桥连配体 cpdp3- 保持在一起。事实上，复合物 1 可以被视为由两个 [Cu2(cpdp)]+ 单元以 μ4:η1:η1:η1:η1 方式专门桥接的两个 [Cu2(cpdp)]+ 单元自组装产生的“二聚体-二聚体” . 变温 (2–300
• Aromatic dicarboxylate incorporated new di- and tetranuclear cobalt(II) complexes: Synthetic and structural aspects, and evaluation of properties and catalytic activity
  作者：Avishek Majumder、Nityananda Dutta、Shobhraj Haldar、Arpan Das、Luca Carrella、Manindranath Bera

  DOI：10.1016/j.ica.2020.119752

  日期：2020.9

  di- and one tetranuclear cobalt(II) complexes, [Co2(cpdp)(Hphth)]∙5H2O (1), [Co2(cpdp)(Hisophth)] (2) and [Co4(cpdp)2(terephth)]∙4.5CH3OH·5.5H2O (3), based on a symmetrical multidentate ligand, N,N'-Bis[2-carboxybenzomethyl]-N,N'-Bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (H3cpdp) in combination with exogeneous aromatic dicarboxylic acids, such as phthalic acid (H2phth), isophthalic acid (H2isophth)

  摘要3种新型，2种双核和1种四核钴的3,5-二叔丁基邻苯二酚向3,5-二叔丁基苯醌的空中氧化的合成，结构以及磁性能和催化活性的评价（II）配合物[Co2（cpdp）（Hphth）]∙5H2O（1），[Co2（cpdp）（Hisophth）]（2）和[Co4（cpdp）2（对苯二甲酸）]∙4.5CH3OH·5.5H2O（ 3），基于对称的多齿配体，N，N'-双[2-羧基苯甲基] -N，N'-双[2-吡啶基甲基] -1,3-二氨基丙烷-2-醇（H3cpdp）与外源性据报导了芳族二羧酸，例如邻苯二甲酸（H2phth），间苯二甲酸（H2isophth）和对苯二甲酸（H2terephth）。这三种配位化合物均具有微观分析，溶液电导率，FTIR，UV-Vis，质谱和循环伏安法的特征，包括1和3的单晶X射线衍射研究。结构研究表明，配合物1、2和3由[CoII2（µ-Hphth）]，[CoII2（µ-Hi
• Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes
  作者：Nityananda Dutta、Shobhraj Haldar、Gonela Vijaykumar、Suvendu Paul、Asoke Prasun Chattopadhyay、Luca Carrella、Manindranath Bera

  DOI：10.1021/acs.inorgchem.8b01441

  日期：2018.9.4

  Three new tetranuclear iron(III) and zinc(II) complexes, [Fe4(cpdp)2(phth)2(OH)2]·8H2O (1), [Fe4(cpdp)2(terephth)2(OH)2] (2), and [Zn4(Hcpdp)2(suc)]Br2·12H2O (3), have been synthesized as models for the active site of phosphoester hydrolases by utilizing a polydentate ligand, N,N′-bis[2-carboxybenzomethyl]-N,N′-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (H3cpdp) in combination with exogeneous phthalate

  三个新的四核铁（III）和锌（II）配合物[Fe 4（cpdp）2（phth）2（OH）2 ]·8H 2 O（1），[Fe 4（cpdp）2（terephth）2（ OH）2 ]（2）和[Zn 4（Hcpdp）2（suc）] Br 2 ·12H 2 O（3）已被合成为磷酸酯水解酶活性位点的模型，方法是利用多齿配体N，N′-双[2-羧基苯甲基] -N，N'-双[2-吡啶基甲基] -1,3-二氨基丙烷-2-醇（H 3 cpdp）与外源邻苯二甲酸酯（phth），对苯二甲酸酯（terephth）和琥珀酸酯（suc）组合。单晶X射线分析表明，配合物1的金属核由四个扭曲的八面体铁（III）离子组成，平均内配体Fe--Fe分离度为3.656（2）Å，而结构3代表四核金属核，其中四个扭曲的三角双锥体锌（II）离子，平均配体内Zn --- Zn分离度为3.472（2）Å。配合物2的分子结构已通过DFT方法进
• Synthesis, structure, thermal and magnetic properties of new tetranuclear copper(II) complex supported by multidentate ligand and glutarate functionality
  作者：Chandan Sarkar、Sujan Sk、Avishek Majumder、Shobhraj Haldar、Gonela Vijaykumar、Manindranath Bera

  DOI：10.1016/j.molstruc.2022.134855

  日期：2023.4

  capable to bind two Cu(II) ions, leaving behind accessible binding sites for further coordination of exogenous glutarate anion which facilitates the assembly of two ligand-bound Cu(II) pairs. In MeOH/H2O, the reaction of CuCl2·2H2O with H3cpdp and sodium glutarate in the presence of NaOH results in the formation of 1. Complex 1 was characterized by different analytical techniques, including single crystal

  利用基于羧酸盐的多齿配体N成功构建了一种新的四核Cu(II)络合物[Cu(H 2 O) 4 ][Cu 4 (cpdp) 2 (glut)]Cl 2 ·6H 2 O ( 1 ) ,N '-双[2-羧基苯甲甲基]- N,N '-双[2-吡啶基甲基]-1,3-二氨基丙-2-醇 (H 3 cpdp)，与戊二酸 (glut) 和 Cu(II) 组合离子，并系统地表征。最初，对称柔性配体 cpdp 3−能够结合两个 Cu(II) 离子，留下可接近的结合位点，以进一步协调外源性戊二酸阴离子，从而促进两个配体结合的 Cu(II) 对的组装。在 MeOH/H 2 O 中，CuCl 2 · 2H 2 O 与 H 3 cpdp 和戊二酸钠在 NaOH 存在下反应生成1。复合物1的特征在于不同的分析技术，包括单晶 X 射线结构研究。单晶X射线结构分析表明，1是自组装的四核铜络合物，其中两个双核[Cu 2 (cpdp)]
• A Family of [Zn₆] Complexes from the Carboxylate-Bridge-Supported Assembly of [Zn₂] Building Units: Synthetic, Structural, Spectroscopic, and Systematic Biological Studies
  作者：Avishek Majumder、Nityananda Dutta、Sudatta Dey、Priyanka Sow、Asmita Samadder、Gonela Vijaykumar、Krishnan Rangan、Manindranath Bera

  DOI：10.1021/acs.inorgchem.1c02201

  日期：2021.12.6

  composition of the (cpdp3–)3/(Zn2+)6 complexes in 1–3 has been observed to be 1:2, on the basis of the UV–vis titration and NMR spectroscopic results, which is further supported by X-ray crystallography. Systematic biological studies performed with a mice model suggested possible antidiabetic efficacy as well as anticancer activities of the complexes. When complexes 1–3 were administered intraperitoneally

  三个离散的 [Zn 6 ] 配合物 [Na 3 Zn 6 (cpdp) 3 (μ-Bz) 3 (CH 3 OH) 6 ][ZnCl 4 ][ZnCl 3 (H 2 O)] · 3CH 3 OH · 1.5H 2 O ( 1 ), [Na 3 Zn 6 (cpdp) 3 (μ- p -OBz) 3 (CH 3 OH) 6 ] · 2H 2 O ( 2 ), 和 [Na 3 Zn6 (cpdp) 3 (μ- p -NO 2 Bz) 3 (CH 3 OH) 6 ]Cl 3 · 2H 2 O ( 3 ), 由羧酸盐基多齿配体N , N '-bis[2-carboxybenzomethyl ]- N , N '-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (H 3 cpdp)，已成功合成并完全表征（Bz = 苯甲酸盐；p -OBz =对羟基苯甲酸的双阴离子酸；p