5-methoxy-6'-hydroxy-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol | 1107064-58-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-methoxy-6'-hydroxy-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol
• 英文别名: 5,5'-dimethoxy-2,2'-[(ethylene)dioxybis(nitrilomethylidyne)]diphenol
• CAS: 1107064-58-3
• 化学式: C₁₈H₂₀N₂O₆
• 分子量: 360.367
• InChiKey: AEYVXTLQCMLUBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  26.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  102.1
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  5-methoxy-6'-hydroxy-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol 、 copper(II) acetate monohydrate 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 以16.6%的产率得到[Cu(5,5'-dimethoxy-2,2'-[(ethylene)dioxybis(nitrilomethylidyne)]diphenol)H2O]n
  参考文献：
  名称：

  Synthesis, crystal structure, and properties of supramolecular CuII, ZnII, and CdII complexes with Salen-type bisoxime ligands

  摘要：

  Three new supramolecular complexes, [Cu(L-1)H2O](n) (1), [Zn(L-2)(H2O)(2)](n) (2), and [Cd(L-2)(H2O)(2)](n) (3), have been synthesized and characterized by FT-IR spectra, fluorescence spectra, and thermal analyses. And the structures of complexes 1-3 have been elucidated by X-ray analyses. Complex 1 is square pyramidal geometry with an unusually long bond (2.262 angstrom) from penta-coodinated Cu-II center to the oxygen atom of the apical coordinated water molecule. Molecules are linked by hydrogen bonding between the coordinated water and the phenolic oxygen atoms of adjacent molecules, thus formed a self-assembling continual zigzag chain supramolecular structure. The crystal structure of complex 2 (or 3) has indicated that the complex consists of one Zn-II (or Cd-II) atom, one L-2 unit and two coordinated water molecules, the coordination number of the Zn-II (or Cd-II) atom is six, and formed an infinite metal-water chain supramolecular structure by intermolecular hydrogen bonds and pi-pi stacking of neighboring benzene rings. Meanwhile, the thermal and photophysical properties of the resulted complexes have also been discussed. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.03.128
• 作为产物：
  描述：

  2,3-二羟基苯甲醛 、 2-[O-(1-ethyloxyamide)]oxime-5-methoxyphenol 以 乙醇 为溶剂， 反应 5.0h， 以68.2%的产率得到5-methoxy-6'-hydroxy-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol
  参考文献：
  名称：

  Synthesis and Crystal Structure of Dialkoxo-Bridged Dinuclear Cu(II) Complex with 5-Methoxy-6'-hydroxy-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol

  摘要：

  通过 Cu(OAc)2-H2O 与 5-甲氧基-6-羟基-2,2-[亚乙二氧基双(次氮基亚甲基)]二苯酚 (H3L1) 的不对称萨拉莫型化合物的络合，合成了一种意想不到的双核铜(II)配合物 [Cu2(L2)2]（H2L2 = 4-甲氧基水杨醛-O-(2-羟乙基)肟）。在 Cu(II) 离子的催化作用下，配体 H3L1 中的一个 N-O 键发生了意外的裂解，从而产生了一种新型的二酮桥双核 Cu(II) 复合物，它具有一个 Cu-O-Cu-O 四元环核心，而不是通常所需的萨拉莫型配体 Cu-N2O2 单核复合物。

  DOI：

  10.14233/ajchem.2013.15635

文献信息

• Two Supramolecular Nickel(II) Complexes: Syntheses, Crystal Structures and Solvent Effects
  作者：Wen-Kui Dong、Yin-Xia Sun、Guo-Hua Liu、Li Li、Xiu-Yan Dong、Xiong-Hou Gao

  DOI：10.1002/zaac.201200074

  日期：2012.7

  Two nickel(II) complexes, namely [NiL(MeOH)(μ-OAc)]2Ni}·2CH2Cl2·2MeOH (1) and [NiL(EtOH)(μ-OAc)]2Ni}·2EtOH (2) H2L = 5, 5′-dimethoxy-2, 2′-[(ethylene)dioxybis(nitrilomethylidyne)]diphenol}, were synthesized and structurally characterized. Two trinuclear NiII complexes are both hexacoordinate around the central NiII atoms, showing octahedral coordination arrangements, and each complex comprises three

  两种镍(II)配合物，即[NiL(MeOH)(μ-OAc)]2Ni}·2CH2CL2·2MeOH(1)和[NiL(EtOH)(μ-OAc)]2Ni}·2EtOH(2) H2L = 5、5'-二甲氧基-2、2'-[(亚乙基)二氧基双(腈基甲基)]二苯酚}被合成并进行结构表征。两个三核 NiIII 配合物都围绕中心 NiIII 原子六配位，显示八面体配位排列，每个配合物包含三个二价 NiIII 原子，两个去质子化的 L2-配体，其中四个 μ-苯氧基氧原子形成两个 [NiL(X)] ( X = MeOH 或 EtOH) 单元，以及配位和非配位的溶剂分子。配合物1通过分子间O-H···O、C-H···O和C-H···π相互作用表现出二维超分子网络，而配合物2通过分子间C-H···形成无限的一维链O 氢键相互作用。
• A Dinuclear Copper(II) Complex Based On the Bisoxime Ligand 5,5´-Dimethoxy-2,2´-[(ethylene)dioxybis(nitrilomethylidyne)]diphenol: Synthesis, Crystal Structure and Spectral Properties
  作者：Wen-Kui Dong、Guo-Hua Liu、Yin-Xia Sun、Xiu-Yan Dong、Xiong-Hou Gao

  DOI：10.1515/znb-2012-0104

  日期：2012.1.1

  A dinuclear Cu(II) complex, [Cu₂(L²)₂] (H₂L² = 4-methoxysalicylaldehyde O-(2-hydroxyethyl)- oxime), has been synthesized through the complexation of Cu(II) acetate monohydrate with the ligand H₂L¹ (H₂L¹ = 5,5´ -dimethoxy-2,2´-[(ethylene)dioxybis(nitrilomethylidyne)]diphenol), and characterized by elemental analyses, IR, UV/Vis and emission spectra. The crystal structure of the Cu(II) complex has been determined by single-crystal X-ray diffraction. The catalysis by Cu(II) ions results in the unexpected cleavage of the N-O bonds in the ligand H₂L¹, giving a novel dialkoxo-bridged dinuclear Cu(II) complex possessing a Cu-O-Cu-O four-membered ring core instead of the expected salen-type bisoxime Cu-N₂O₂ complex

  一种双核铜(II)配合物，[Cu₂(L²)₂] (H₂L² = 4-甲氧基水杨醛O-(2-羟乙基)-肟)，通过Cu(II)醋酸单水合物与配体H₂L¹ (H₂L¹ = 5,5´-二甲氧基-2,2´-[(乙二氧基)双(腈基甲烷基)]二苯酚)的络合反应合成，并通过元素分析、红外、紫外/可见和发射光谱进行表征。通过单晶X射线衍射测定了Cu(II)配合物的晶体结构。Cu(II)离子的催化作用导致了配体H₂L¹中N-O键的意外断裂，形成了一种新型的双烷氧桥联双核Cu(II)配合物，其具有Cu-O-Cu-O四元环核心，而不是预期的salen型双肟Cu-N₂O₂配合物。
• A Penta- and Hexa-Coordinated Trinuclear Nickel(II) Complex [(NiL)2(OAc)2Ni]•2(n-PrOH)•CHCl3: Synthesis and Crystal Structure
  作者：Yin-Xia Sun、Yu-Jie Zhang、Xiu-Yan Dong、Xin-Ran Li、Wei-Sheng Meng、Rui-E Lu

  DOI：10.14233/ajchem.2013.14803

  日期：——

  A tri-nuclear Ni(II) complex, [(NiL)2(OAc)2Ni]·2(n-PrOH)·CHCl3, has been synthesized by the reaction of Ni(II) acetate tetrahydrate with a salen-type bisoxime chelating ligand (H2L). The X-ray crystal structure of the complex reveals that there are two acetate ions coordinate to three Ni(II) atoms through Ni-O-C-O-Ni bridges and quadruple μ-phenoxo oxygen atoms from two [NiL] chelates also coordinate to Ni(II) atoms. Interestingly, the Ni(II) complex possessing different conformational metal centers: penta- and hexa-coordinated geometry.

  三核镍（II）络合物[(NiL)2(OAc)2Ni]·2(n-PrOH)·CHCl3是通过四水合乙酸镍（II）与Salen型双肟螯合配体（H2L）反应合成的。该络合物的X射线晶体结构显示，有两个乙酸根离子通过Ni-O-C-O-Ni桥与三个Ni（II）原子配位，两个[NiL]螯合物的四倍μ-苯氧基氧原子也与Ni（II）原子配位。有趣的是，Ni（II）络合物具有不同的构象金属中心：五配位和六配位几何结构。
• Synthesis and Structure of a Penta- and Hexa-Coordinated Tri-Nuclear Cobalt(II) Complex
  作者：Xiu-Yan Dong、Yin-Xia Sun、Li Wang、Li Li

  DOI：10.3184/174751912x13366711594575

  日期：2012.7

  The tri-nuclear cobalt(II) complex, [(CoL)₂(μ-OAc)₂Co]·2CHCl₃ (H₂L = 5,5'-dimethoxy-2,2'-[(ethylene)dioxybis(nitrilome thylidyne)]diphenol), has been synthesised. Its X-ray structure shows it to contain two acetate ions coordinating to the three cobalt(II) atoms through Co–O–C–O–Co bridges, and four μ-phenoxo-oxygen atoms from two [CoL] chelates also coordinating to the central cobalt(II) atom. The complex possesses two penta- and one hexa-coordinated cobalt atoms. The crystal packing of the Co^II complex shows that a 2D-layer supramolecular network parallel to the ab-plane is formed through intermolecular C–H···O and C–H···Cl hydrogen bonding interactions.

  我们合成了三核钴(II)配合物[(CoL)2(μ-OAc)2Co]-2CHCl3（H2L = 5,5'-二甲氧基-2,2'-[(亚乙基)二氧双(亚硝基甲基)]二苯酚）。其 X 射线结构显示，它含有两个醋酸根离子，通过 Co-O-C-O-Co 桥与三个钴（II）原子配位，以及来自两个[CoL]螯合物的四个μ-苯氧基原子，也与中心钴（II）原子配位。该复合物具有两个五配位钴原子和一个六配位钴原子。CoII 复合物的晶体结构显示，通过分子间的 C-H-O 和 C-H-Cl 氢键相互作用，形成了平行于 ab 平面的二维层超分子网络。