1-Butyl-2-picolinium bromide | 26576-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-Butyl-2-picolinium bromide
• 英文别名: 1-butyl-2-methylpyridinium bromide；1-butyl-2-methylpyridin-1-ium bromide；1-butyl-2-methylpyridin-1-ium;bromide
• CAS: 26576-84-1
• 化学式: Br*C₁₀H₁₆N
• 分子量: 230.148
• InChiKey: QVHDOABFJHOTIT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.91
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S61
• 危险类别码：
  R22,R52/53

反应信息

• 作为反应物：
  描述：

  1-Butyl-2-picolinium bromide 在 溶剂黄146 、 铂 作用下， 生成 2-methyl-N-(n-butyl)piperidine
  参考文献：
  名称：

  Ochiai et al., Chemische Berichte, 1935, vol. 68, p. 2291,2298

  摘要：

  DOI：
• 作为产物：
  描述：

  碳酸甲丙酯 、 正溴丁烷 以 正丁醇 为溶剂， 以97%的产率得到1-Butyl-2-picolinium bromide
  参考文献：
  名称：

  吡啶鎓苯乙烯基染料的固态荧光

  摘要：

  1-烷基-2- [4-（二乙基氨基）苯乙烯基]吡啶鎓盐根据烷基和抗衡阴离子在固态下在650 nm处显示最大荧光。双（全氟丁基磺酰基）酰亚胺的1-丁基-2- [4-（二乙氨基）苯乙烯基]吡啶鎓在652 nm处显示最大荧光，且结晶形式的最高量子产率为0.16。单个X射线晶体学表明该化合物表现出分离的二聚体型堆积，从而导致固态荧光。

  DOI：

  10.1016/j.dyepig.2013.07.026

文献信息

• Correlation between lipophilicity of newly synthesized ionic liquids and selected <i>Fusarium</i> genus growth rate
  作者：Milan Vraneš、Aleksandar Tot、Jasenka Ćosić、Snežana Papović、Jovana Panić、Slobodan Gadžurić、Nenad Janković、Karolina Vrandečić

  DOI：10.1039/c9ra02521a

  日期：——

  the present study was to examine the effectiveness of 23 different synthesized ionic liquids (ILs) on Fusarium culmorum and Fusarium oxysporum growth rate. The strategy of IL synthesis was a structural modification of ionic liquids through changing the polarity of imidazolium and pycolinium cations and replacing halide anions with well known antifungal anions (cinnamate, caffeate and mandelate). The

  本研究的目的是检验 23 种不同合成离子液体 (ILs) 对镰刀菌和尖孢镰刀菌生长速率的有效性。IL 合成的策略是通过改变咪唑鎓和 pycolinium 阳离子的极性并用众所周知的抗真菌阴离子（肉桂酸根、咖啡酸根和扁桃酸根）代替卤化物阴离子来对离子液体进行结构修饰。研究结果清楚地表明，阳离子上的烷基链类型是 IL 毒性的最决定因素。为了检查 IL 结构如何影响它们对镰刀菌属的毒性，亲脂性描述符A  log  P从密度泛函理论计算并与镰刀菌的生长速度。所有这些结果表明，所研究的 ILs 对镰刀菌属的亲脂性和毒性具有高度的相互依赖性。本研究中收集的数据表明，ILs 的抑制作用在尖孢镰刀菌的情况下更为明显。
• [EN] TRICYANOBORATE ALKYL ETHERS<br/>[FR] ÉTHERS ALKYLIQUES DE TRICYANOBORATE
  申请人：LONZA AG

  公开号：WO2014037291A1

  公开（公告）日：2014-03-13

  The invention relates to tricyanoborate alkyl ethers, a method for their preparation and their use as ionic liquids.

  这项发明涉及三氰硼酸烷基醚，其制备方法及其作为离子液体的用途。
• A general method for the synthesis of heterocyclic dithiocarboxylate betaines: Potential precursors of NHC based on a novel type of functionalization of the methyl group
  作者：Anatolii Morkovnik、Alexander Zubenko、Lyudmila Divaeva、Oleg Demidov、Tatyana Gribanova、Vadim Sochnev、Alexander Klimenko、Natalia Dobaeva、Gennadii Borodkin、Yuriy Drobin、Leonid Fetisov、Kristina Kononenko

  DOI：10.1016/j.tetlet.2020.152228

  日期：2020.8

  betaines was developed based on a novel type of functionalization of the C-methyl group of heterocyclic quaternary salts under the action of sulfur. These types of betaines are of interest as possible precursors for N-heterocyclic carbenes and metal complex catalysts.

  基于在硫的作用下杂环季盐的C-甲基的新型官能化，开发了一种更通用的非卡宾路线，用于杂环二硫代羧酸盐甜菜碱。这些类型的甜菜碱作为N-杂环卡宾和金属络合物催化剂的可能前体是令人感兴趣的。
• Comparison of the structure property relationships in LB films of zwitterionic TCNQ adducts
  作者：Norman A. Bell、Christopher S. Bradley、Richard A. Broughton、Simon J. Coles、David E. Hibbs、Michael B. Hursthouse、Asim K. Ray、Derek J. Simmonds、Stephen C. Thorpe

  DOI：10.1039/b414325f

  日期：——

  Substitution reactions of TCNQ (7,7,8,8-tetracyanoquinodimethane) with suitable quinolinium and picolinium electron donor moieties yielded an extensive analogous series of α-bridged quinolinium and picolinium adducts R(2)Q3CNQ and R(2)P3CNQ respectively of which the long chain (Z)-β-[N-(1-hexadecyl)quinolinium-2-yl]-α-cyano-4-styryl}-dicyanomethanide (C16H33(2)Q3CNQ) is a typical example. These zwitterionic D–π–A materials (where D and A are electron donor and acceptor respectively) exhibit properties such as solvatochromism, molecular rectification and second harmonic generation and were compared and contrasted to the existing γ-bridged adducts. The behaviour of the materials on the water subphase and their resultant Langmuir–Blodgett (LB) film fabrication were studied. The abrupt change in molecular orientation in LB films of the γ-bridged adducts occurring at R = C15H31 and above was not seen in the more flatly orientated α-bridged adducts. Further characterisation of the LB films was performed using reflectance–absorption infra-red spectroscopy (RAIRS) and surface plasmon resonance (SPR). The crystal structure of the long chain adduct, C10H21(2)Q3CNQ, is also reported.

  TCNQ（7,7,8,8-四氰基喹啉二甲基）与合适的喹啉和吡啶电子供体部分的取代反应，产生了大量类似的α-桥联喹啉和吡啶加合物R(2)Q3CNQ和R(2)P3CNQ，其中长链（Z）-β-[N-(1-十六烷基)喹啉-2-基]-α-氰基-4-苯乙烯基}-二氰基甲烷（C16H33(2)Q3CNQ）是一个典型例子。这些两性离子D-π-A材料（其中D和A分别是电子供体和受体）表现出溶剂致色、分子整流和二次谐波生成等特性，并与现有的γ-桥联加合物进行了比较和对比。研究了材料在水子相中的行为及其产生的Langmuir-Blodgett（LB）薄膜的制备。在R = C15H31及更高时，γ-桥联加合物在LB薄膜中的分子取向发生突然变化，而在取向更平坦的α-桥联加合物中则没有发生这种变化。使用反射-吸收红外光谱（RAIRS）和表面等离子共振（SPR）对LB薄膜进行了进一步表
• Polymerizable composition, optical material comprising the composition and method for producing the material
  申请人：——

  公开号：US20040254258A1

  公开（公告）日：2004-12-16

  A cured matter obtained by polymerizing and curing a polymerizable composition comprising a compound having at least one episulfide in a molecule is reduced in an odor by adding a perfume to the polymerizable composition comprising the compound having at least one episulfide in a molecule. A cloudiness of the lens is removed by raising a purity of sulfur to 98% or more. A reduction in a chlorine content of the sulfur compound described above to 0.1% by weight or less elevates an oxidation resistance and a light fastness of the high refractive index optical material and improves a color tone thereof. An optical product having a high refractive index and a high-degree transparency is provided by subjecting the composition in advance to deaerating treatment at 0 to 100° C. for one minute to 24 hours under a reduced pressure of 0.001 to 50 torr.

  通过聚合和固化至少含有一种环硫醚的化合物的可聚合组合物获得的治愈物质，通过向至少含有一种环硫醚的化合物的可聚合组合物中添加香水来减少其气味。通过将硫的纯度提高到98％或更高，可以消除镜片的混浊。将上述硫化合物的氯含量降低至0.1％或更低可以提高高折射率光学材料的氧化抗性和耐光性，并改善其色调。通过在0至100°C下将组合物事先进行脱气处理，以在0.001至50 torr的减压下持续1分钟至24小时，可提供具有高折射率和高度透明度的光学产品。