2-[2-(1-methylpyridiniumyl)]-3-(2-pyridyl)pyrazine hexafluorophosphate | 143371-43-1

• 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: 2-[2-(1-methylpyridiniumyl)]-3-(2-pyridyl)pyrazine hexafluorophosphate
• 英文别名: 2-(1-methyl-2-pyridiniumyl)-3-(2-pyridyl)pyrazine hexafluorophosphate；2-(1-methylpyridin-1-ium-2-yl)-3-pyridin-2-ylpyrazine;hexafluorophosphate
• CAS: 143371-43-1
• 化学式: C₁₅H₁₃N₄*F₆P
• 分子量: 394.259
• InChiKey: XDETVGOUECGALO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  42.6
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 2-[2-(1-methylpyridiniumyl)]-3-(2-pyridyl)pyrazine hexafluorophosphate 、 {Ru{(μ-2,5-bis(2-pyridyl)pyrazine)Ru(2,2'-bipyridine)2}2Cl2(PF6)4 在 silver nitrate 、 H₂O 作用下， 以 乙醇 、 水 为溶剂， 以65%的产率得到{{2-(2-(1-methylpyridiniumyl))-3-(2-pyridyl)pyrazine}Ru(μ-2,5-bis(2-pyridyl)pyrazine)Ru(2,2'-bipyridine)2}2(PF6)7
  参考文献：
  名称：

  Serroni, Scolastica; Denti, Gianfranco, Inorganic Chemistry, 1992, vol. 31, # 21, p. 4251 - 4255

  摘要：

  DOI：

文献信息

• Structure and reactivity of [Ru(2,3-Medpp)2Cl2]2+
  作者：Maren Pink、Pierre Sutra、Vincenzo Balzani、Margherita Venturi、Sebastiano Campagna、Scolastica Serroni、Alberto Juris

  DOI：10.1016/s0020-1693(02)00760-0

  日期：2002.5

  The structure and reactivity of the complex [Ru(2,3-Medpp)(2)Cl-2](PF6)(2) (2,3-Medpp(+) =2-[2-(1-methylpyridiniumyl)]-3-(2-pyridyl)pyrazine) was investigated by X-ray diffraction (XRD), H-1 NMR, redox, and UV-Vis absorption measurements. X-ray analysis shows that crystals obtained from an acetonitrile-toluene solution contain the trans-Cl-2, trans-pyrazine isomeric form, while H-1 NMR and redox measurements on the main product of the synthetic workup indicate the presence of the trans-Cl-2, cis-pyrazine isomer. In the dark at 70 degreesC, the complex [Ru(2,3-Medpp)(2)Cl-2](2+) reacts slowly in acetonitrile isomerizing to the cis[Ru(2,3-Medpp)(2)(CH3CN)Cl](3+) species. Under ambient light in the presence of excess AgNO3 the cis-[Ru(2,3-Medpp)(2)(CH3CN)(2)](4+) species is obtained. (C) 2002 Published by Elsevier Science B.V.