2-(4-methylpyridin-2-yl)-N-[4-[[2-(4-methylpyridin-2-yl)pyridine-4-carbonyl]amino]butyl]pyridine-4-carboxamide | 229334-69-4

• 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-(4-methylpyridin-2-yl)-N-[4-[[2-(4-methylpyridin-2-yl)pyridine-4-carbonyl]amino]butyl]pyridine-4-carboxamide
• CAS: 229334-69-4
• 化学式: C₂₈H₂₈N₆O₂
• 分子量: 480.569
• InChiKey: VLIULXFYAJSSCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 2-(4-methylpyridin-2-yl)-N-[4-[[2-(4-methylpyridin-2-yl)pyridine-4-carbonyl]amino]butyl]pyridine-4-carboxamide 、 [Cl3Ru(tetra-2-pyridylpyrazine)RuCl3] 在 LiCl 、 Et₃N 作用下， 以 乙醇 、 水 为溶剂， 以8%的产率得到[Ru2Cl2(1,4-bis(4'-methyl-2,2'-bipyridyl-4-carbonylamino)butane)(tetra-2-pyridylpyrazine)](PF6)2
  参考文献：
  名称：

  Synthesis and Characterization of Dinuclear Ruthenium Complexes with Tetra-2-pyridylpyrazine as a Bridge

  摘要：

  The syntheses and characterization of a series of complexes of the general formula [Cl(bpy')Ru(tppz)Ru(bpy')Cl](PF6)(2), where tppz is tetra-2-pyridylpyrazine and bpy' is 2,2'-bipyridine or substituted 2,2'-bipyridine, are described. Preparations with 2,2'-bipyridine or 4,4'-dimethyl-2,2'-bipyridine (1 and 2, respectively) give mixtures of two isomers. The isomers of 2 were separated chromatographically and the X-ray crystal structure of the cis isomer was solved. Significant distortion is observed in both the coordination geometry around each ruthenium atom and in the tppz ligand resulting in short intramolecular Ru ... Ru and Cl ... Cl separations (6.558(1) and 5.880(2) Angstrom, respectively). Ligands containing two bipyridine groups linked through eight- and nine-atom bridges have also been synthesized. The length of the bridge between bipyridine groups allows for the formation of cis complexes 3-5 having the general formula shown above but prevents formation of a trans isomer.

  DOI：

  10.1021/ic990110a