N,N-dimethyl-N,N-hexamethylene-bis(5-tert--butyl-2-hydroxy-3-hydroxyimino methyl)benzylamine | 1177404-20-4

• 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-dimethyl-N,N-hexamethylene-bis(5-tert--butyl-2-hydroxy-3-hydroxyimino methyl)benzylamine
• 英文别名: N,N'-dimethyl-N,N'-hexamethylenebis(5-tert-butyl-2-hydroxy-3-hydroxyiminomethyl)benzylamine；N,N-dimethyl-N,N-hexamethylene-bis(5-tert-butyl-2-hydroxy-3-hydroxyimino methyl)benzylamine；N,N'-dimethyl-N,N'-hexamethylenedi(3-hydroxyiminomethyl-2-hydroxy-5-tert-butylbenzylamine)
• CAS: 1177404-20-4
• 化学式: C₃₂H₅₀N₄O₄
• 分子量: 554.773
• InChiKey: MYRPELWRAVDFTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.43
• 重原子数：
  40.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  112.12
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-N,N-hexamethylene-bis(5-tert--butyl-2-hydroxy-3-hydroxyimino methyl)benzylamine 、 copper(II) acetate monohydrate 、 1,2-二氯乙烷 以 乙醇 、 1,2-二氯乙烷 为溶剂， 以99%的产率得到bis(N,N'-dimethyl-N,N'-hexamethylenedi(3-hydroxyiminomethyl-2-hydroxy-5-tert-butylbenzylamino))dicopper(II) - 1,2-dichloroethane (1/2)
  参考文献：
  名称：

  Anion-induced contraction of helical receptors

  摘要：

  四氟硼酸根阴离子吸收到二铜双水杨醛肟复合物的中心导致空腔的大幅收缩和螺旋度的增加。

  DOI：

  10.1039/b902772f

文献信息

• Linking [MIII3] triangles with “double-headed” phenolic oximes
  作者：Kevin Mason、John Chang、Alessandro Prescimone、Elena Garlatti、Stefano Carretta、Peter A. Tasker、Euan K. Brechin

  DOI：10.1039/c2dt30189j

  日期：——

  Strapping two salicylaldoxime units together with aliphatic α,Ω-aminomethyl links in the 3-position gives ligands which allow the assembly of the polynuclear complexes [Fe7O2(OH)6(H2L1)3(py)6](BF4)5·6H2O·14MeOH (1·6H2O·14MeOH), [Fe6O(OH)7(H2L2)3](BF4)3·4H2O·9MeOH (2·4H2O·9MeOH) and [Mn6O2(OH)2(H2L1)3(py)4(MeCN)2](BF4)5(NO3)·3MeCN·H2O·5py (3·3MeCN·H2O·5py). In each case the metallic skeleton of the cluster is based on a trigonal prism in which two [MIII3O] triangles are tethered together via three helically twisted double-headed oximes. The latter are present as H2L2− in which the oximic and phenolic O-atoms are deprotonated and the amino N-atoms protonated, with the oxime moieties bridging across the edges of the metal triangles. Both the identity of the metal ion and the length of the straps connecting the salicylaldoxime units have a major impact on the nuclearity and topology of the resultant cluster, with, perhaps counter-intuitively, the longer straps producing the “smallest” molecules.

  将两个水杨醛肟单元与 3 位的脂肪族 α,β-氨基甲基连接在一起，得到配体，该配体允许组装多核配合物 [Fe7O2(OH)6(H2L1)3(py)6](BF4)5· 6 ·14MeOH (1·6 ·14MeOH)、[Fe6O(OH)7(H2L2)3]( )3·4 ·9MeOH (2·4 ·9MeOH) 和 [Mn6O2(OH)2(H2L1)3(py )4(MeCN)2]( )5(NO3)·3MeCN·H2O·5py (3·3MeCN· ·5py)。在每种情况下，簇的金属骨架都基于三棱柱，其中两个[MIII3O]三角形通过三个螺旋扭曲的双头肟连接在一起。后者以 H2L2 形式存在，其中肟和酚 O 原子被去质子化，氨基 N 原子被质子化，肟部分桥接金属三角形的边缘。金属离子的特性和连接水杨醛肟单元的带的长度对所得簇的核性和拓扑结构都有重大影响，也许与直觉相反，较长的带产生“最小”分子。
• A bis-salicylaldoximato-copper(<scp>ii</scp>) receptor for selective sulfate uptake
  作者：Marco Wenzel、Quintin W. Knapp、Paul G. Plieger

  DOI：10.1039/c0cc02230f

  日期：——

  The preferential uptake of sulfate over the industrially important anions, chloride and nitrate and structurally similar dihydrogen phosphate has been achieved in aqueous media with a dicopper salicylaldoxime complex.

  在具有二铜水杨醛肟络合物的水介质中，硫酸根比工业上重要的阴离子、氯离子、硝酸根以及结构相似的磷酸二氢盐优先被吸收。
• A New Polynuclear Coordination Type for (Salicylaldoxime)copper(II) Complexes: Structure and Magnetic Properties of an (Oxime)Cu ₆ Cluster
  作者：Marco Wenzel、Ross S. Forgan、Anaëlle Faure、Kevin Mason、Peter A. Tasker、Stergios Piligkos、Euan K. Brechin、Paul G. Plieger

  DOI：10.1002/ejic.200900877

  日期：2009.11

  A previously unseen coordination mode is reported for (salicylaldoxime)copper complexes utilising a linked zwitterionic NO22– donor set. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

  报道了使用连接的两性离子 NO22-供体组的（水杨醛肟）铜配合物的先前未见的配位模式。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• Linking [FeIII3] triangles with “double-headed”phenolic oximes
  作者：K. Mason、J. Chang、E. Garlatti、A. Prescimone、S. Yoshii、H. Nojiri、J. Schnack、P. A. Tasker、S. Carretta、E. K. Brechin

  DOI：10.1039/c1cc11146a

  日期：——

  The use of “double-headed” phenolic oximes produces a trigonal antiprismatic [FeIII3]2 cluster with an “internal cavity” filled with an additional Fe3+ ion. Magnetic measurements reveal that the competition between different exchange interactions leads to a low-spin ground multiplet weakly separated in energy from a complex pattern of low-lying excited levels.

  使用“双头”酚肟可产生三角反棱柱形 [FeIII3]2 簇，其“内腔”填充有额外的 Fe3+ 离子。磁测量表明，不同交换相互作用之间的竞争导致低自旋基态多重态在能量上与低激发能级的复杂模式弱分离。