4-methyl-N-phenylpyridinium chloride

• 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: 4-methyl-N-phenylpyridinium chloride
• 英文别名: 4-Methyl-1-phenylpyridin-1-ium;chloride
• 化学式: C₁₂H₁₂N*Cl
• 分子量: 205.687
• InChiKey: JGVXDDQRJSUXER-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.72
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-methyl-N-phenylpyridinium chloride 在 sodium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 5,5-dimethyl-2-(2-(1-phenylpyridin-4(1H)-ylidene)ethylidene)cyclohexane-1,3-dione
  参考文献：
  名称：

  Novel combinatorial approach to the synthesis of dihydropyridine (quinoline) based merocyanine dyes

  摘要：

  DOI：

  10.24820/ark.5550190.p011.994
• 作为产物：
  描述：

  4-甲基吡啶 以 乙醇 为溶剂， 反应 20.0h， 生成 4-methyl-N-phenylpyridinium chloride
  参考文献：
  名称：

  N-芳基取代的吡啶鎓盐和氰乙酸衍生的部花青染料的合成及性能

  摘要：

  通过N-芳基-4-吡啶鎓盐和氰基乙酸衍生物的双组分缩合合成了一系列部花青染料。研究了合成染料的理化性质。

  DOI：

  10.1007/s11172-018-2300-7

文献信息

• Tuning of charge-transfer absorption and molecular quadratic non-linear optical properties in ruthenium(II) ammine complexes †
  作者：Benjamin J. Coe、James A. Harris、Inge Asselberghs、André Persoons、John C. Jeffery、Leigh H. Rees、Thomas Gelbrich、Michael B. Hursthouse

  DOI：10.1039/a905652a

  日期：——

  The ligands N-methyl-2,7-diazapyrenium (Medap+), N-(2-pyrimidyl)-4,4′-bipyridinium (PymQ+), N-methyl-4-[trans-2-(4-pyridyl)ethenyl]pyridinium (Mebpe+) and N-phenyl-4-[trans-2-(4-pyridyl)ethenyl]pyridinium (Phbpe+) have been used to prepare a series of complex salts trans-[RuII(NH3)4(LD)(LA)][PF6]3 [LD = NH3 and LA = Medap+ 1, PymQ+ 2, Mebpe+ 3 or Phbpe+ 4; LD = pyridine (py) and LA = Medap+ 8, PymQ+

  配体N-甲基-2,7-二氮杂py（Medap +），N-（2-嘧啶基）-4,4'-联吡啶（PymQ +），N-甲基-4- [反式-2-（4-吡啶基） ）乙烯基]吡啶鎓（Mebpe +）和N-苯基-4- [反式-2-（4-吡啶基）乙烯基]吡啶鎓（Phbpe +）已用于制备一系列反式-[Ru II（NH 3）4（L D）（L A）] [PF 6 ] 3 [L D  = NH 3和LA  = Medap + 1，PymQ + 2，Mebpe + 3或Phbpe + 4; L D  ＝吡啶（py），L A  ＝ Medap + 8，PymQ + 9，Mebpe + 10或Phbpe + 11；L D  ＝ 1-甲基咪唑（mim），L A  ＝ Medap + 12，PymQ + 13，Mebpe + 14或Phbpe + 15]。盐反式-[Ru II（NH 3） 4（py）（4,4'-bpy）] [PF
• Complexes of carboxylato pillar[6]arene with Brooker-type merocyanines: Spectral properties, pKa shifts and the design of a displacement assay for trimethyl lysine
  作者：Dóra Hessz、Stella Bádogos、Márton Bojtár、István Bitter、László Drahos、Miklós Kubinyi

  DOI：10.1016/j.saa.2021.119455

  日期：2021.5

  dye-WP6 mixtures were described in terms of four equilibrium reactions: the acidic dissociations of the pyridinium phenols into the zwitterionic phenolates, the acidic dissociations of the complexed phenols, the bindings of the phenol form dyes to WP6 and the bindings of the phenolates to WP6. The equilibrium constants were determined by an analysis of the absorption spectra. It was found that the acidity

  在水溶液中研究了三种强溶剂化染料的超分子配合物，布鲁克的花菁（M1）及其两个衍生物（M2，M3）与羧基支柱[6]芳烃（WP6）。染料-WP6混合物是通过四个平衡反应来描述的：吡啶鎓酚的酸性分解成两性离子酚盐，络合酚的酸性分解，酚形式染料与WP6的结合以及酚盐与WP6的结合。 WP6。通过分析吸收光谱确定平衡常数。发现在络合时，酚形式的花菁的酸度大大降低，p K a观察到1.1-1.6单位的变化。在中性溶液中，M1和M2的酚形式的配合物占主导地位，而酸性更高的M3（一种二溴衍生物）则相反，酚盐配合物更稳定。比较染料-WP6配合物的光谱性质，结合常数和p K a -s，选择配合物M3·WP6作为置换试验。证明了该络合物可作为比色指示剂置换试验，将三甲基赖氨酸与其他赖氨酸衍生物区分开。
• Adaptive Supramolecular Networks: Emergent Sensing from Complex Systems
  作者：Allison J. Selinger、Fraser Hof

  DOI：10.1002/anie.202312407

  日期：2023.11.6

  Molecular differentiation by supramolecular sensors is typically achieved through sensor arrays, relying on the pattern recognition responses of large panels of isolated sensing elements. Here we report a new one‐pot systems chemistry approach to differential sensing in biological solutions. We constructed an adaptive network of three cross‐assembling sensor elements with diverse analyte‐binding and photophysical properties. This robust sensing approach exploits complex interconnected sensor‐sensor and sensor‐analyte equilibria, producing emergent supramolecular and photophysical responses unique to each analyte. We characterize the basic mechanisms by which an adaptive network responds to analytes. The inherently data‐rich responses of an adaptive network discriminate among very closely related proteins and protein mixtures without relying on designed protein recognition elements. We show that a single adaptive sensing solution provides better analyte discrimination using fewer response observations than a sensor array built from the same components. We also show the network's ability to adapt and respond to changing biological solutions over time.

  摘要 超分子传感器的分子分化通常是通过传感器阵列实现的，依靠的是大量孤立传感元件的模式识别反应。在此，我们报告了一种在生物溶液中进行差异传感的新的单锅系统化学方法。我们构建了一个由三个交叉组装的传感器元件组成的自适应网络，这些元件具有不同的分析物结合和光物理特性。这种稳健的传感方法利用了复杂的相互关联的传感器-传感器和传感器-分析物平衡，产生了针对每种分析物的独特的超分子和光物理反应。我们描述了自适应网络响应分析物的基本机制。自适应网络固有的数据丰富的反应可以区分关系非常密切的蛋白质和蛋白质混合物，而无需依赖设计的蛋白质识别元件。我们的研究表明，与由相同组件构建的传感器阵列相比，单一自适应传感解决方案能利用更少的响应观测数据提供更好的分析鉴别能力。我们还展示了该网络适应和响应随时间变化的生物解决方案的能力。
• POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1988109A1

  公开（公告）日：2008-11-05

  A polymerizable composition for polythiourethane optical materials comprising a compound represented by the general formula (1),         M(L)n     (1) wherein, in the formula, M is Al, Fe, Cu, Zn, Zr or Bi; L is a dithiocarbamic acid group, a sulfonic acid group, a mono- or di-alkyl phosphoric acid ester group, a substituted acetylacetonato group or a halogen; and n is an integer of 1 to 5, one or two or more isocyanates selected from the group consisting of isocyanate compounds and isothiocyanate compounds, and one or two or more active hydrogen compounds each having a mercapto group. The compounds represented by the general formula (1) exhibit catalytic activity equal to or superior to that of organotin catalysts having been employed as catalysts for the production of polythiourethane optical materials from the past, and have high safety. Further, the thus obtained polythiourethane resins satisfactorily meet the property requirements for optical materials, in particular, excelling in weather resistance. Therefore, the proposed catalysts are available as novel catalysts replacing the organotin catalysts.

  一种用于聚硫乙烷光学材料的可聚合组合物，由通式 (1) 所代表的化合物组成、 M(L)n (1) 式中，M 是 Al、Fe、Cu、Zn、Zr 或 Bi；L 是二硫代氨基甲酸基团、磺酸基团、单烷基或二烷基磷酸酯基团、取代的乙酰丙酮基团或卤素；n 是 1 至 5 的整数、 一种或两种或多种异氰酸酯，选自异氰酸酯化合物和异硫氰酸酯化合物组成的组，以及 一种或两种或多种活性氢化合物，每种活性氢化合物都带有一个巯基。通式（1）所代表的化合物的催化活性等同于或优于过去用作生产聚硫乙烷光学材料催化剂的有机锡催化剂，而且安全性高。此外，由此获得的聚硫乙烷树脂还能满足光学材料的性能要求，特别是在耐候性方面表现出色。因此，所提出的催化剂可作为新型催化剂替代有机锡催化剂。
• POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2341091A1

  公开（公告）日：2011-07-06

  The polymerizable composition for an optical material of the present invention comprises a phenylene diisocyanate, at least one polythiol compound selected from the group consisting of 4-mercaptomethyl-1,8-dimercapto-3,6-dithiaoctane, 4,8-, 4,7- or 5,7-dimercaptomethyl-1,11-dimercapto-3,6,9-trithiaundecane, 2,5-bis(mercaptomethyl)-1,4-dithiane, bis(mercaptoethyl)sulfide, 1,1,3,3-tetrakis(mercaptomethylthio)propane, 4,6-bis(mercaptomethylthio)-1,3-dithiane, 2-(2,2-bis(mercaptomethylthio)ethyl)-1,3-dithietane, 1,1,2,2-tetrakis(mercaptomethylthio)ethane 3-mercaptomethyl-1,5-dimercapto-2,4-dithiapentane and tris(mercaptomethylthio)methane.

  用于本发明光学材料的可聚合组合物包括亚苯基二异氰酸酯、至少一种选自以下组别的聚硫醇化合物：4-巯甲基-1,8-二巯基-3,6-二硫代辛烷、4,8-、4,7-或 5,7-二巯甲基-1,11-二巯基-3,6,9-三硫代十一烷、2、5-双（巯甲基）-1,4-二噻烷、双（巯基乙基）硫醚、1,1,3,3-四（巯甲基硫基）丙烷、4,6-双（巯甲基硫基）-1,3-二噻烷、2-（2、1,3-二噻烷、1,1,2,2-四（巯甲基硫基）乙烷、3-巯甲基-1,5-二巯基-2,4-二硫戊烷和三（巯甲基硫基）甲烷。