trans-1-methyl-4-<4-cyanostyryl>-pyridinium iodide | 25514-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-1-methyl-4-<4-cyanostyryl>-pyridinium iodide
• 英文别名: 4-[2-(4-cyanophenyl)ethenyl]-N-methylpyridinium iodide
• CAS: 25514-81-2
• 化学式: C₁₅H₁₃N₂*I
• 分子量: 348.186
• InChiKey: QTJHYWYSCKYRCR-SQQVDAMQSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  27.67
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  trans-1-methyl-4-<4-cyanostyryl>-pyridinium iodide 以 四氢呋喃 为溶剂， 生成 4-[(Z)-2-(4-Cyano-phenyl)-vinyl]-1-methyl-pyridinium; iodide
  参考文献：
  名称：

  Charge transfer fluorescence of trans-stryrylpyridinium iodides

  摘要：

  The photoprocesses of trans-1-methyl-4-[4-R-styryl]pyridinium iodide (R = H, P1) and derivatives with a cyano, a nitro and a methoxy group at the phenyl moiety, P2-P4, respectively, were studied in solution. In solvents of relatively low polarity, e.g. tetrahydrofuran, where contact ion pairs are present, the fluorescence spectrum of the styrylpyridinium is significantly red-shifted and the quantum yield is strongly enhanced. These findings are due to photoinduced electron transfer from I- to the excited singlet state of the cation. The features of complementary trans-styrylquinolinium iodides are in good accordance. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.12.019
• 作为产物：
  描述：

  1,4-二甲基吡啶碘化物 、 4-氰基苯甲醛 在 哌啶 作用下， 以 甲醇 为溶剂， 反应 8.0h， 生成 trans-1-methyl-4-<4-cyanostyryl>-pyridinium iodide
  参考文献：
  名称：

  4-[2-(4-Cyanophenyl)ethenyl]-N-methylpyridinium tetraphenylborate

  摘要：

  In the title compound, C(15)H(13)N(2)(+).C(24)H(20)B(-), the pyridyl ring of the cation makes a dihedral angle of 1.6 degrees with the benzene ring. Each is rotated in the same direction with respect to the central -C-CH=CH-C- linkage, by 3.8 and 5.3 degrees, respectively. The anions have a slightly distorted tetrahedral geometry. Molecular packing analysis was carried out using the packing energy portioning scheme in the program OPEC. Around each anion in the crystal structure there are eight anions, which interact with the central anion through C-H...pi interactions. The cations are hydrogen bonded in a head-to-tail fashion, forming chains along [101].

  DOI：

  10.1107/s010827010503060x

文献信息

• Photoinduced electron transfer vs. trans .fwdarw. cis photoisomerization of quaternary salts of 4-substituted 4'-azastilbenes (R = CN, H, CH3, and OCH3) and their quinolinium analogs. 10
  作者：Helmut. Goerner

  DOI：10.1021/j100291a042

  日期：1987.3