N-Decyl-4-cyan-pyridiniumion | 46926-61-8

• 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: N-Decyl-4-cyan-pyridiniumion
• 英文别名: N-decyl-4-cyanopyridinium cation；1-Decylpyridin-1-ium-4-carbonitrile
• CAS: 46926-61-8
• 化学式: C₁₆H₂₅N₂
• 分子量: 245.388
• InChiKey: ZNHXOZVKUQHVOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  pentaamminechlororuthenium(III) dichloride 、 四苯硼钠 、 N-Decyl-4-cyan-pyridiniumion 在 汞 、 锌 作用下， 以 水 为溶剂， 以50%的产率得到(pentaammineruthenium(II)(N-decyl-4-cyanopyridinium))(BF4)3
  参考文献：
  名称：

  Synthesis and properties of RuII(NH3)5(N-R-Cyanopyridinium) complexes

  摘要：

  Syntheses and other properties of some pentaammineruthenium(II) complexes with N-R-cyanopyridinium cations, RuII(NH3)5(rcp) (rcp = N-methyl-2-cyanopyridinium, N-methyl-3-cyanopyridinium, N-methyl-4-cyanopyridinium, N-decyl-4-cyanopyridinium, N-dodecyl-4-cyanopyridinium or N-benzyl-4-cyanopyridinium), are reported. The UV-vis range spectra of these complexes display one higher energy intraligand absorption band and one lower energy metal-to-ligand charge-transfer (MLCT) absorption band. The energies of the MLCT bands of the N-R-4-cyanopyridinium (4-rcp) complexes are essentially the same. The cyclic voltammograms in aqueous acidic medium showed an Ru(III/II) pair of peaks with a coupled chemical reaction. The Ru(III/II) reduction potentials are essentially the same for the 4-rcp complexes. MLCT band energies are consistent with Ru(III/II) reduction potentials and are discussed in comparison with those of complexes of related and uncharged nitriles.

  DOI：

  10.1016/s0277-5387(00)83527-5