1,1'-butylenebis (γ-picolinium bromide) | 6266-43-9

• 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: 1,1'-butylenebis (γ-picolinium bromide)
• 英文别名: 4,4'-dimethyl-1,1'-butanediyl-bis-pyridinium; dibromide；4,4'-Dimethyl-1,1'-butandiyl-bis-pyridinium; Dibromid；4-methyl-1-[4-(4-methylpyridin-1-ium-1-yl)butyl]pyridin-1-ium;bromide
• CAS: 6266-43-9
• 化学式: 2Br*C₁₆H₂₂N₂
• 分子量: 402.172
• InChiKey: XACHZTAVEBCMHP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.64
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  7.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  copper(I) thiocyanate 、 1,1'-butylenebis (γ-picolinium bromide) 在 potassium thioacyanate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以61%的产率得到
  参考文献：
  名称：

  Subtle side chain effect of methyl substituent on the self-assembly of polypseudorotaxane complexes: Syntheses, structural diversity and photocatalytic properties

  摘要：

  Cation-templated self-assembly of 1, n-bis(4-methylpyridine) alkane cations (n = 3-7) with CuSCN was studied and a series of new polymeric thiocyanate frameworks were obtained: {(bmpp)[Cu2Br2(SCN)(2)]}(n) (1), {(bmpt)[Cu-2(SCN)(4)]}(n) (2), {(bmppt)[Cu-2(SCN)(4)]}(n) (3), {(bmph)[Cu-4(SCN)(6)]}(n) (4), {(bmphp)[Cu-2(SCN)(4)]}(n) (5), (n = 3, bmpp; n = 4, bmpt; n = 5, bmppt; n = 6, bmph; n = 7, bmphp). The structures consist of 1-2D frameworks with the dications trapped within host network cavities. Compounds 1, 2, 3 and 5 possess the infinite two-dimensional polypseudorotaxane anion networks. Compound 4 has a novel 1D chain structure which looks like lotus root. The results demonstrate that the side chain of methyl substituent plays an important role in the fabrication of polypseudorotaxane structures. Furthermore, solid UV-Vis spectra, photoluminescence and photocatalytic properties at ambient temperature were also investigated. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.01.042
• 作为产物：
  描述：

  4-甲基吡啶 、 1,4-二溴丁烷 以 乙腈 为溶剂， 反应 12.0h， 以100%的产率得到1,1'-butylenebis (γ-picolinium bromide)
  参考文献：
  名称：

  Sb(III) 与 4,4'-Dimethyl-1,1'-Butanediylbis(pyridinium) 阳离子的溴化物配合物：意外形成具有各种核的复杂阳离子的多晶型物

  摘要：

  摘要 Sb 2 O 3和 4,4'-二甲基-1,1'-丁二基双(吡啶鎓)二溴化物 ((4-MePyC 4 )Br 2 ) 在浓 HBr 中的溶液反应得到多晶型物：双核 (4-MePyC 2 ) [Sb 2 Br 8 ] ( I ) 或四核 (4-MePyC 4 ) 2 [Sb 4 Br 16 ] ( II ) 络合物，取决于反应条件。通过X-射线结构分析(CIF文件CCDC nos.2061368( I )和2061369( II ))研究复合物的结构。

  DOI：

  10.1134/s107032842108008x

文献信息

• Reversibly Tunable White-Light Emissions of Styrylpyridiniums with Cucurbiturils in Aqueous Solution
  作者：Sheng-Hua Li、Xiufang Xu、Yu Zhou、Qian Zhao、Yu Liu

  DOI：10.1021/acs.orglett.7b03377

  日期：2017.12.15

  excimer emissions based on a series of host–guest complexes of dipolar dyes styrylpyridiniums (An and Bn) with cucurbit[n]urils (CB[n]) are reported. The syn- and anti- excimers due to the opposite stacking orientations have been well investigated both in experiments and DFT calculations. Furthermore, reversibly color-tunable luminescent supramolecular assemblies including near white-light emission with

  据报道，不同的准分子发射是基于一系列偶极染料苯乙烯基吡啶鎓（An和Bn）与葫芦[n] urils（CB [ n ]）的客体-客体配合物。该顺-和反-准分子由于相反的方向堆积已在实验和理论计算得到了很好的研究两者。此外，通过将An - CB [7]与ADA竞争性结合，实现了可逆颜色可调的发光超分子组件，包括具有CIE坐标（0.32，0.29）的近白光发射。
• Ring transformations of heterocyclic compounds.<b>XIII</b>. Bis(2,4,6-triarylphenyl) substituted bispyridinium salts from methyl derivatives by double pyrylium and thiopyrylium ring transformations
  作者：Thomas Zimmermann、Klaus Schmidt

  DOI：10.1002/jhet.5570330342

  日期：1996.5

  unknown 4,4′-bis(2,4,6-triarylphenyl) substituted bispyridinium diperchlorates 3, in which the N-atoms are linked by a carbon chain, a heteroatom containing a carbon chain or a bis(methylene) substituted aromatic/heteroaromatic ring, from 4,4′-dimethylbispyridinium derivatives 2 by a double 2,6-[C5+C] ring transformation of 2,4,6-triarylpyrylium and 2,4,6-triarylthiopyrylium salts 1/4 is reported.

  迄今未知的4,4'-双（2,4,6-三芳基苯基）取代的双吡啶二氯化二氯酸盐3的合成，其中N-原子通过碳链，含有碳链的杂原子或双（亚甲基）连接取代的芳族/杂芳族环，由4,4'-二甲基双吡啶鎓衍生物2通过2,4,6-三芳基吡啶鎓盐和2,4,6-三芳基硫代吡啶鎓盐1/4的双2,6- [C 5 + C]环双转化被报道。讨论了双吡啶二氯双吡啶鎓盐3的光谱数据及其形成方式。
• Some Quaternary Ammonium Salts of Heterocyclic Bases. III. Bis-Quaternary Ammonium Salts¹
  作者：Jonathan L. Hartwell、Milton A. Pogorelskin

  DOI：10.1021/ja01161a046

  日期：1950.5
• Mishra, J K; Behera, P K; Parida, S K, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 2, p. 118 - 122
  作者：Mishra, J K、Behera, P K、Parida, S K、Mishra, B K

  DOI：——

  日期：——
• Synthesis, thermal stability, crystal structure and optical properties of 1,1′-(1, n -alkanediyl)bis(4-methylpyridinium) bromobismuthates
  作者：Vitalii Yu. Kotov、Andrey B. Ilyukhin、Nikolai P. Simonenko、Sergey A. Kozyukhin

  DOI：10.1016/j.poly.2017.08.016

  日期：2017.11

  Four hybrid 1,1'(1,n-alkanediy1)bis(4-methylpyridinium) bromobismuthates, namely (PiC(2))(2)Bi2Br10 (1), PiC(4)(H5O2)BiBr6 center dot 2H(2)O (2), (PiC(5))(2)Bi2Br10 (3) and (PiC(6))(2)(H5O2)Bi2Br11 (4), were prepared by a facile solution method. The crystal structures of 1 and 3 contain zero-dimensional Bi2Br10 anion units. A 2-D network structure consisting of H5O2)[BiBr6]center dot 2H(2)O interconnected by hydrogen bonds was found in 2 and a 1-D network structure consisting of H5O2)[Bi2Br11] was observed in 4. (C) 2017 Elsevier Ltd. All rights reserved.