Pentyltrimethylammonium bromide | 150-98-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Pentyltrimethylammonium bromide
• 英文别名: n-pentyltrimethylammonium bromide；trimethyl-pentyl-ammonium; bromide；Amyltrimethylammonium bromide；trimethyl(pentyl)azanium;bromide
• CAS: 150-98-1
• 化学式: Br*C₈H₂₀N
• 分子量: 210.157
• InChiKey: DFEBZUPHJOVJKO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.11
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Pentyltrimethylammonium bromide 在 Dowex 22 chloride form 作用下， 以 乙腈 为溶剂， 以146 mg的产率得到n-pentyltrimethylammonium chloride
  参考文献：
  名称：

  季铵盐离子对的形状选择识别

  摘要：

  承认离子对合成的受体是许多技术应用可能有用，但到目前为止还没有关于季铵盐（Q的选择性识别一些工作+）离子对。这项研究测量了四内酰胺大环化合物对氯仿溶液中11种不同的Q + ·Cl –盐的亲和力。在每种情况下，都使用NMR光谱法确定缔合常数（K a）和缔合配合物的结构。发现K a强烈依赖于Q +的分子形状，当Q +时K a增强。可以穿透大环腔并与大环的NH残基和芳族侧壁发生吸引人的非共价相互作用。当Q +为对-CN取代的苄基三甲基铵时，测得的最高K a为7.9×10 3 M –1。这种高亲和力的Q + ·Cl –离子对被用作模板，以提高产生四内酰胺受体或结构相关衍生物的大环化反应的合成产率。另外，通过将由被反应性苄基阳离子穿线的四内酰胺大环组成的非共价络合物的末端加帽，制备了永久性联锁的轮烷。合成方法提供了一个新的轮烷化离子对家族的途径，这些家族可能充当阴离子传感器，分子穿梭分子或转运分子。

  DOI：

  10.1021/acs.joc.8b03197
• 作为产物：
  描述：

  1-溴戊烷 、 三甲胺 以 乙腈 为溶剂， 反应 48.0h， 生成 Pentyltrimethylammonium bromide
  参考文献：
  名称：

  Odd–Even Effect and Unusual Behavior of Dodecyl-Substituted Analogue Observed in the Crystal Structure of Alkyltrimethylammonium–[Ni(dmit)₂]⁻Salts

  摘要：

  一系列[Ni(dmit)2]−（dmit：1,3-二硫杂环戊烯-2-硫酮-4,5-二硫醇）的烷基三甲基铵盐（Cn：n代表烷基链长度；n = 3和5–18）已被制备并通过X射线结构分析进行了研究。所有复合盐均被发现由交替的[Ni(dmit)2]−阴离子层和阳离子层组成，阳离子层的烷基链存在显著的互插结构。然而，分子排列在(C3)[Ni(dmit)2]和其他(Cn)[Ni(dmit)2]（n = 5–18）之间有所不同。在C3复合盐中，相邻的阳离子沿[Ni(dmit)2]−阴离子的长轴排列，而在其他（C5–C18复合盐）中，它们朝向短轴排列。这种排列差异源于阳离子和阴离子长轴长度的相关性，即CLCA。此外，对于C10–C18，阳离子烷基链与[Ni(dmit)2]−阴离子之间的相对取向在奇数和偶数编号阳离子之间有所不同。奇数编号阳离子的烷基链平面垂直于[Ni(dmit)2]−阴离子平面，而偶数编号阳离子的烷基链平面则平行。还发现C12类似物表现得像奇数编号阳离子。然而，在C12盐中，十二烷基的末端甲基采取了不寻常的末端-旁式构象。

  DOI：

  10.1246/bcsj.20100306

文献信息

• Cholinergic Anionic Receptors III
  作者：J.C. Kellett、W.Clark Doggett

  DOI：10.1002/jps.2600550413

  日期：1966.4

  an initial effort to discern some of the fine features of cholinergic anionic receptors, a study was made on inhibitors of acetylcholinesterase which used inhibitors that are relatively free from conformational variation. The inhibitors used were quaternized 1-azabicyclo (2.2.2)octanes. The bicyclic parent amine was prepared by several conventional procedures. The salts were evaluated as competitive

  为了识别胆碱能阴离子受体的某些优良特性，最初的研究是对乙酰胆碱酯酶抑制剂的研究，该抑制剂使用的是相对无构象变化的抑制剂。所用的抑制剂是季铵化的1-氮杂双环（2.2.2）辛烷。双环母体胺通过几种常规方法制备。通过滴定法将这些盐评价为乙酰胆碱酯酶的竞争性抑制剂。将这些化合物对该酶的阴离子位点的亲和力与一系列发生构象变化的相关盐的亲和力进行了比较。这些比较表明，该胆碱能受体的阴离子位点比迄今所怀疑的更具有立体化学要求。
• Imine Macrocycle with a Deep Cavity: Guest-Selected Formation of<i>syn/anti</i>Configuration and Guest-Controlled Reconfiguration
  作者：Zhenfeng He、Gang Ye、Wei Jiang

  DOI：10.1002/chem.201405912

  日期：2015.2.9

  present article, we show how organic templates can efficiently transform a complex dynamic imine library into a dynamic imine macrocycle. Not only is the constitution well controlled, but also the syn/anti host configuration is efficiently selected and even the orientation of the guest in the asymmetric cavity of the host can be well aligned. This is attributed to the delicate balance and the cooperation

  动态共价键是构建大型且坚固的有机体系结构的理想链接之一。在本文中，我们展示了有机模板如何将复杂的动态亚胺文库有效地转化为动态亚胺大环。不仅可以很好地控制结构，而且可以有效地选择顺/反主体构型，甚至客体在主体不对称腔中的方向也可以很好地对齐。这归因于主人和客人之间微妙的平衡以及多种非共价相互作用的配合。通过以适当的数量顺序添加三个来宾，首次实现了对动态共价体系结构的受控结构重配置。
• Odd–Even Effect and Unusual Behavior of Dodecyl-Substituted Analogue Observed in the Crystal Structure of Alkyltrimethylammonium–[Ni(dmit)₂]⁻Salts
  作者：Kotaro Dai、Kuniharu Nomoto、Shinji Ueno、Kazuaki Tomono、Kazuo Miyamura

  DOI：10.1246/bcsj.20100306

  日期：2011.3.15

  A series of [Ni(dmit)2]− (dmit: 1,3-dithiole-2-thione-4,5-dithiolato) salts of alkyltrimethylammonium (Cn: n represents the alkyl chain length; n = 3 and 5–18) have been prepared and analyzed by X-ray structural analysis. All complex salts have been found to be composed of alternate sheets of [Ni(dmit)2]− anions and sheets of cations with a pronounced interdigitation of the alkyl chains. However, molecular arrangement differed between (C3)[Ni(dmit)2] and other (Cn)[Ni(dmit)2] (n = 5–18). Adjacent cations were aligned along the long axis of [Ni(dmit)2]− anion in C3 complex salt, while in others (C5–C18 complex salts), they were aligned toward the short axis. Such a difference in arrangement arose from correlativity between the lengths of the long axis of cation and anion, namely CLCA. Furthermore, relative orientation between the alkyl chain of cation and [Ni(dmit)2]− anion differed between the odd- and even-numbered cations for C10–C18. Whereas the plane of alkyl chain for odd-numbered cation was normal to the plane of [Ni(dmit)2]− anion, that of even-numbered cation was parallel. It was also found that C12 analog behaved like odd-numbered cations. However, in C12 salt, the end methyl group of the dodecyl group adopted unusual end-gauche conformation.

  一系列[Ni(dmit)2]−（dmit：1,3-二硫杂环戊烯-2-硫酮-4,5-二硫醇）的烷基三甲基铵盐（Cn：n代表烷基链长度；n = 3和5–18）已被制备并通过X射线结构分析进行了研究。所有复合盐均被发现由交替的[Ni(dmit)2]−阴离子层和阳离子层组成，阳离子层的烷基链存在显著的互插结构。然而，分子排列在(C3)[Ni(dmit)2]和其他(Cn)[Ni(dmit)2]（n = 5–18）之间有所不同。在C3复合盐中，相邻的阳离子沿[Ni(dmit)2]−阴离子的长轴排列，而在其他（C5–C18复合盐）中，它们朝向短轴排列。这种排列差异源于阳离子和阴离子长轴长度的相关性，即CLCA。此外，对于C10–C18，阳离子烷基链与[Ni(dmit)2]−阴离子之间的相对取向在奇数和偶数编号阳离子之间有所不同。奇数编号阳离子的烷基链平面垂直于[Ni(dmit)2]−阴离子平面，而偶数编号阳离子的烷基链平面则平行。还发现C12类似物表现得像奇数编号阳离子。然而，在C12盐中，十二烷基的末端甲基采取了不寻常的末端-旁式构象。
• Metal directed assembly of ditopic containers and their complexes with alkylammonium salts
  作者：Edoardo Menozzi、Julius Rebek Jr.

  DOI：10.1039/b509189f

  日期：——

  assembled through metal coordination to give a thermodynamically stable ditopic receptor of nanosize dimensions which has been used in the reversible binding of di-alkylammonium and n-alkylammonium salts.

  通过金属配位组装了一种新的自折叠空泡，以提供纳米尺寸的热力学稳定的双位受体，该受体已用于二烷基铵盐和正烷基铵盐的可逆结合。
• Pillar[7]arene-based host–guest complex in water: dual-responsiveness and application in controllable self-assembly
  作者：Li Shao、Bin Hua、Jie Yang、Guocan Yu

  DOI：10.1039/c6ra12183g

  日期：——

  A dual-responsive supra-amphiphile was constructed based on a water-soluble pillar[7]arene and a pyrene-containing guest. The self-assembly morphology of this supra-amphiphile could be adjusted by changing pH or irradiation by UV light.

  基于水溶性pillar[7]arene和含有芘的客体构建了一种双响应超分子胶束。通过改变pH或紫外光照射，可以调节这种超分子胶束的自组装形态。