1-(4-pyridyl)pyridinium dichloride

• 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-(4-pyridyl)pyridinium dichloride
• 英文别名: 4-pyridylpyridinium dichloride；N-(4-pyridyl) pyridinium chloride hydrochloride；pypyCl2；Nppch；1-pyridin-1-ium-4-ylpyridin-1-ium;chloride
• 化学式: C₁₀H₁₀N₂*2Cl
• 分子量: 229.109
• InChiKey: GEIZYPUHEGXPEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.53
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  16.77
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 1-(4-pyridyl)pyridinium dichloride 在 KI 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以62.3%的产率得到Cu2I4(Nppch)2
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Characterization of a Novel Coordinated Polymer [Cu₂I₄(Nppch)₂]

  摘要：

  Solution reaction of CuI and KI in DMF/H2O with a solution of Nppch in CH3OH/H2O gave rise to a three-dimensional (3D) supramolecular compound based on a binuclear [Cu2I4(Nppch)(2)] unit (Nppch = N-(4-pyridyl) pyridinium chloride hydrochloride). The crystal structural analysis indicated that the complex crystallized in a monoclinic space group, P2(1)/n, a = 9.6821(19) angstrom, b = 11.414(2) angstrom, c = 12.096(2) angstrom, beta = 103.17(3)degrees, V = 1301.6(4) angstrom(3), Z = 2. The complex possessed a novel three-dimensional supramolecular framework formed by hydrogen bonds among repeating [Cu2I4(Nppch)(2)] binuclear units. The compound was further characterized with infrared (IR) spectra, ultraviolet spectral properties, thermal analysis, and fluorescence properties.

  DOI：

  10.1080/15533174.2011.591350
• 作为产物：
  描述：

  吡啶 在 mesitotrichloride 作用下， 生成 4-氯吡啶 、 1-(4-pyridyl)pyridinium dichloride
  参考文献：
  名称：

  一种新的氧化还原系统：三氯甲基亚芳基-吡啶碱。N-（4-吡啶基）吡啶鎓二氯化物的合成机理

  摘要：

  三氯甲基芳烃与吡啶的氧化还原反应产生相应的N-（α-氯芳基甲基）-取代的吡啶鎓氯化物，其水解产生芳族醛和4-氯吡啶或1,4'-联吡啶鎓盐。

  DOI：

  10.1016/0040-4039(95)00943-7

文献信息

• Nature of the reducing agent and mechanism of the reductive condensation of trichloromethylarenes with hydroxylamine and hydrazines in pyridine
  作者：L. I. Belen'kii、I. S. Poddubnyi、M. M. Krayushin

  DOI：10.1007/bf01169070

  日期：1995.6
• Mark A Hoddenbagh; Macartney, Donal H., Inorganic Chemistry, 1986, vol. 25, # 3, p. 380 - 383
  作者：Mark A Hoddenbagh、Macartney, Donal H.

  DOI：——

  日期：——
• Schliemann; Buge, Pharmazie, 1980, vol. 35, # 4, p. 203 - 204
  作者：Schliemann、Buge

  DOI：——

  日期：——
• Dihydrohexacyanoferrates of N-heterocyclic cations
  作者：Sergey I. Gorelsky、Andrey B. Ilyukhin、Pavel V. Kholin、Vitalii Yu. Kotov、Boris V. Lokshin、Nina V. Sapoletova

  DOI：10.1016/j.ica.2006.12.034

  日期：2007.5

  Dihydrohexacyanoferrates (II and III) of aromatic N-heterocyclic cations X+ (such as N-methyiquinoxalinium, pyridinium, dipyridinium) and X2+ (such as pyridylpyridinium, dipyridinium) are synthesized and characterized. For the first time, the crystal structures of acidic dihydrohexacyanoferrates are described. The formation of the X2+H2[Fe(CN)(6)] and X2+H2[Fe(CN)(6)] species which contain the [Fe(CN)(6)](4-) and [Fe(CN)(4)(CNH)(2)](2-) anions from acidic solutions occurs after the formation of the H[Fe(CN)(6)](3-) species as can be established from the outer-sphere charge transfer (OSCT) bands in the absorption spectra. The crystal structures of these species contain extensive network of intermolecular N-H center dot center dot center dot N, N-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds which link the hexacyanoferrate anions with solvent water (if present) and N-heterocyclic cations if the later can participate in the H-bond formation. In the crystals of dihydrohexacyanoferrates, the H-bond networks can be two-dimensional (species 1) and three-dimensional (species 2-7). The lack of acidic protons for the H-bond network formation can be compensated by solvent water molecules. The H-bond network plays an important role in stabilization of such strongly-acidic species such as the H(2)Bpy(2+) and HPypy(2+) cations and the [Fe-11(CN)(4)(CNH)(2)](2-) anion. (C) 2007 Elsevier B.V. All rights reserved.
• Brencic, J. V.; Ceh, B.; Leban, I., Zeitschrift für anorganische und allgemeine Chemie
  作者：Brencic, J. V.、Ceh, B.、Leban, I.

  DOI：——

  日期：——