1,4-Benzenedimethanaminium, N,N,N,N',N',N'-hexaethyl-, dibromide | 113060-29-0

• 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: 1,4-Benzenedimethanaminium, N,N,N,N',N',N'-hexaethyl-, dibromide
• 英文别名: N,N'-(1,4-phenylenebis(methylene))bis(N,N-diethylethaneaminium) dibromide；p-phenylenedimethylenebis(triethylammonium bromide)；1,4-bis(triethylammoniomethyl)benzene bromide；hexa-N-ethyl-N,N'-p-xylylene-di-ammonium; dibromide；Hexa-N-aethyl-N,N'-p-xylylen-di-ammonium; Dibromid；Hexa-N-aethyl-N,N'-p-xylylen-di-ammonium; Bromid
• CAS: 113060-29-0
• 化学式: 2Br*C₂₀H₃₈N₂
• 分子量: 466.343
• InChiKey: AQDCLDMHMOPDHD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  水 、 三苯基苄基溴化膦 、 tetrasodium 25,26,27,28-tetrahydroxycalix[4]arene-5,11,17,23-tetrasulfonate 、 1,4-Benzenedimethanaminium, N,N,N,N',N',N'-hexaethyl-, dibromide 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  控制相对于对-磺基杯[4]芳烃阴离子的phospho阳离子的组织†

  摘要：

  溶液介导的对-磺基对杯[4]芳烃，苄基三苯基phosph阳离子和双（三乙基氨甲基）苯阳离子在固态下的组织导致铵离子优先结合在两个相对的杯芳烃的空腔中，该杯芳烃带有-3电荷，带有phospho阳离子相对于杯芳烃双层排列在单独的2D薄片中。

  DOI：

  10.1039/c4ce02086c
• 作为产物：
  描述：

  三乙胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 氯仿 作用下， 生成 1,4-Benzenedimethanaminium, N,N,N,N',N',N'-hexaethyl-, dibromide
  参考文献：
  名称：

  Manoukian, Chemische Berichte, 1901, vol. 34, p. 2090

  摘要：

  DOI：

文献信息

• Highly Selective Route for Producing Unsymmetrically Substituted Monomers toward Synthesis of Conjugated Polymers Derived from Poly(<i>p</i>-phenylene vinylene)
  作者：Albert J. J. M. van Breemen、Dirk J. M. Vanderzande、Peter J. Adriaensens、Jan M. J. V. Gelan

  DOI：10.1021/jo9821022

  日期：1999.4.1

  A new convenient route for producing unsymmetrically substituted sulfinyl monomers of precursor polymers toward poly(p-phenylene vinylene) is described. Upon treating a symmetrical bissulfonium salt with a thiolate anion, an unexpected high selectivity for the monosubstituted thioethers (90%) is obtained. Optimization of the reaction conditions showed that the stoichiometry of the reactants in this

  描述了一种制备前体聚合物的不对称取代的亚磺酰基单体向聚对苯撑亚乙烯基的简便方法。用硫醇盐阴离子处理对称的双s盐时，获得了对单取代硫醚的出乎意料的高选择性（90％）。反应条件的优化表明，该反应中反应物的化学计量对于确保高选择性和防止不希望的副反应很重要。等摩尔量的试剂在环境温度下反应可获得最佳结果。提出了与这些结果一致的机理，并得到了紫外线可见光实验的支持。硫醚的选择性氧化产生亚磺酰基单体。通过使用此新路线，可以将总产量提高2倍
• Curare-like camphor derivatives and their biological activity
  作者：A. S. Sokolova、E. A. Morozova、V. G. Vasilev、O. I. Yarovaya、T. G. Tolstikova、N. F. Salakhutdinov

  DOI：10.1134/s1068162015020156

  日期：2015.3

  The synthesis of symmetric dimeric camphor derivatives containing two quaternary nitrogen atoms was performed and their myorelaxant activity in mice was evaluated. For the comparison, some salts derived from meta- and para-xylylene dibromides were synthesized and their activity was tested.

  进行了含有两个季氮原子的对称二聚樟脑衍生物的合成，并评估了它们在小鼠中的肌松活性。为了进行比较，合成了一些衍生自间二溴和对二甲苯的盐并测试了它们的活性。
• Dependence of amine-accelerated silicate condensation on amine structure
  作者：David B. Robinson、Judith L. Rognlien、Christina A. Bauer、Blake A. Simmons

  DOI：10.1039/b700514h

  日期：——

  Diatoms are known to grow elaborate nano- and microstructured silica shells by depositing material from precursor-containing vesicles at mild temperature and pH. Oligo(1-methylazetane) and related moieties, in some cases attached to proteins, are believed to facilitate this process. To complement prior studies of more complex amines, we aim to understand why such a unique structure has evolved through a systematic study of a set of simple model compounds. The degree to which a series of diamines in solution enhances condensation of phosphate-buffered silicic acid at neutral pH increases with increasing alkylation, a factor more important than amine pKa. This suggests why diatoms often use methylated oligomers. Bis(quaternary ammonium) salts result in even greater reactivity enhancement, constituting a new class of compounds that promote condensation under mild conditions. Methods are presented for incorporation of these new moieties into artificial peptides or other template-forming molecules, which should allow for more effective production of tailored silica nanostructures.

  硅藻被认为能够通过在温和的温度和pH条件下，从含前体的囊泡中沉积物质，生长出复杂的纳米和微结构硅壳。在某些情况下，连接到蛋白质上的寡(1-甲基啡啶)及相关部分被认为有助于这一过程。为了补充对更复杂的胺的先前研究，我们旨在通过系统地研究一组简单的模型化合物，理解为什么会进化出这样独特的结构。一系列二胺在溶液中对磷酸盐缓冲硅酸的缩合增强程度，随着烷基化的增加而增加，这一因素比胺的pKa更为重要。这表明为什么硅藻通常使用甲基化的寡聚物。双(季铵)盐更能显著增强反应性，构成了一类新的化合物，能够在温和条件下促进缩合。本文呈现了将这些新部分纳入人工肽或其他模板形成分子的办法，这应能更有效地生产定制的硅纳米结构。
• A Ribonucleotide ↔ Phosphoramidate Reaction Network Optimized by Computer-Aided Design
  作者：Andreas Englert、Julian F. Vogel、Tim Bergner、Jessica Loske、Max von Delius

  DOI：10.1021/jacs.2c05861

  日期：2022.8.24