Zn(N,N'-phenylenebis(3,5-di-tert-butylsalicylideneiminate))(pyridine) | 210531-59-2

• 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: Zn(N,N'-phenylenebis(3,5-di-tert-butylsalicylideneiminate))(pyridine)
• 英文别名: (N,N'-phenylenebis(3,5-di-tert-butylsalicylideneimine))Zn(pyridine)；Zn(N,N'-phenylene-bis(3,5-di-tert-butylsalicylideneimine(2-))(py)
• CAS: 210531-59-2
• 化学式: C₄₁H₅₁N₃O₂Zn
• 分子量: 683.265
• InChiKey: DRZRORJQSVOYSV-XIDIDSRISA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡啶 、 Zn(N,N'-phenylenebis(3,5-di-tert-butylsalicylideneiminate))(THF) 以 吡啶 为溶剂， 以29%的产率得到Zn(N,N'-phenylenebis(3,5-di-tert-butylsalicylideneiminate))(pyridine)
  参考文献：
  名称：

  Five-coordinate Salen(tBu) complexes of zinc

  摘要：

  We report here the synthesis and structural characterization of Salen(Bu-t) complexes of zinc. They are of the formula, Salpen(Bu-t)Zn-thf (1), Salophen(Bu-t)Zn-thf (2), Salomphen(Bu-t) Zn-thf (3) and Salophen(Bu-t) Zn-pyridine (4) (where Salpen(Bu-t)=(N,N'-propylene-bis(3,5-di-tert-butylsalicylideneimine), Salophen(Bu-t)=(N,N'-phenylenebis(3,5-di-tert-butylsalicylideneimine) and Salomphen(Bu-t) = (N,N'-(4,5-dimethyl)phenylenebis(3,5-di-tert-butylsalicylideimine). They are characterized by Mp, NMR, IR and, in the case of 2 and 4, by X-ray crystallography. A comparison will be made between 2 and 4 and the structure of [SalomphanH(2)Zn](2) (5) (where Salomphan=N,N'-(4,5-dimethyl)phenylenebis(o-hydroxybenzylamine)) whose synthesis has been reported previously. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(97)06131-8

文献信息

• Ligation of Substituted Pyridines to Metallosalphen Complexes – Crystallographic Characterization of an Unexpected Four‐Component Supramolecular Assembly Comprising a Sterically Demanding Ligand
  作者：Eduardo C. Escudero‐Adán、Jordi Benet‐Buchholz、Arjan W. Kleij

  DOI：10.1002/ejic.200900401

  日期：2009.8

  the Zn ion and the steric repulsion that results upon ligation. The steric requirements of the pyridine ligand infers a preferred positioning of its pendant groups as to minimize repulsive interactions with the salphen ligand. The crystallization of two separate Zn(salphen) complexes in the presence of 2,6-dimethylpyridine has furnished two remarkable 4-component supramolecular structures in which

  已使用 NMR 和 UV/Vis 光谱、X 射线衍射分析和分子建模研究详细研究了各种 Zn(salphen) 配合物与一系列取代的吡啶配体的结合特性。综合结果清楚地表明，吡啶环上邻位取代模式的细微差异对 Zn-Npyr 相互作用的强度有显着影响。在双邻位取代的情况下，由于 Zn 离子周围的刚性几何形状和连接时产生的空间排斥，吡啶供体无法与 Zn(salphen) 复合物结合。吡啶配体的空间要求推断其侧基的优选定位以最小化与salphen配体的排斥相互作用。在 2,6-二甲基吡啶存在下两种单独的 Zn(salphen) 配合物的结晶提供了两种显着的 4 组分超分子结构，其中 Zn 离子与水配体相关联，而水配体又被两个吡啶 H 键包围接受者；这一结果与该吡啶配体无法直接与 Zn 金属中心相互作用有关。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim
• Autocatalytic demetalation of a Zn(salphen) complex provoked by unprotected N-heterocycles
  作者：Eduardo C. Escudero-Adán、Jordi Benet-Buchholz、Arjan W. Kleij

  DOI：10.1039/b713039b

  日期：——

  The interaction of Zn(salphen) complex 1a with biologically important structures such as (benz)imidazoles and purine has been studied and revealed in the case of unprotected purine and (benz)imidazole derivatives a demetalated product, whereas for structurally related 1-methyl-(benz)imidazole the formation of 1 : 1 coordination complexes was evidenced by NMR, MS and X-ray crystallography.

  锌(salphen)配合物1a与生物学上重要的结构如(苯)咪唑和嘌呤的相互作用已被研究并揭示，在未保护的嘌呤和(苯)咪唑衍生物的情况下发现了一个脱金属化产物，而对于结构相关的1-甲基(苯)咪唑，通过NMR、MS和X射线晶体学证实了1:1配位配合物的形成。
• Fluorescent Detection of Nitroaromatics and 2,3-Dimethyl- 2,3-dinitrobutane (DMNB) by a Zinc Complex:  (salophen)Zn
  作者：Meaghan E. Germain、Thomas R. Vargo、Peter G. Khalifah、Michael J. Knapp

  DOI：10.1021/ic062012c

  日期：2007.5.1

  Fluorescent sensors for the detection of chemical explosives are in great demand. It is shown herein that the fluorescence of ZnL* (H2L = N,N'-phenylene-bis-(3,5-di-tert-butylsalicylideneimine)) is quenched in solution by nitroaromatics and 2,3-dimethyl-2,3-dinitrobutane (DMNB), chemical signatures of explosives. The relationship between the structure and fluorescence of ZnL is explored, and crystal structures of three forms of ZnL(base), (base = ethanol, tetrahydrofuran, pyridine) are reported, with the base = ethanol structure exhibiting a four-centered hydrogen bonding array. Solution structures are monitored by H-1 NMR and molecular weight determination, revealing a dimeric structure in poor donor solvents which converts to a monomeric structure in the presence of good donor solvents or added Lewis bases to form five-coordinate ZnL(base). Fluorescence wavelengths and quantum yields in solution are nearly insensitive to monomer-dimer interconversion, as well as to the identity of the Lewis base; in contrast, the emission wavelength in the solid state varies for different ZnL(base) due to pi-stacking. Nitroaromatics and DMNB are moderately efficient quenchers of ZnL*, with Stern-Volmer constants K-SV = 2-49 M-1 in acetonitrile solution.