Ac-5Bpy-NH-t-Bu | 874445-38-2

• 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: Ac-5Bpy-NH-t-Bu
• 英文别名: 5'-N-acetylamino-2,2'-bipyridine-5-CO-NH-t-Bu；6-(5-acetamidopyridin-2-yl)-N-tert-butylpyridine-3-carboxamide
• CAS: 874445-38-2
• 化学式: C₁₇H₂₀N₄O₂
• 分子量: 312.371
• InChiKey: VZXYVTXZNBYQGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium iron(II) sulfate hexahydrate 、 Ac-5Bpy-NH-t-Bu 以 甲醇 、 水 为溶剂， 生成 fac-[iron(II)(5'-N-acetylamino-2,2'-bipyridine-5-CO-NH-t-Bu)3]SO4 、 mer-[iron(II)(5'-N-acetylamino-2,2'-bipyridine-5-CO-NH-t-Bu)3]SO4
  参考文献：
  名称：

  An Unnatural Amino Acid Bearing Bipyridyl Backbone: Selective Formation ofmer-Isomers for Iron(II) Tris-chelate Complexes

  摘要：

  The fac/mer-ratios of the iron(II) complexes with the derivatives of an unnatural amino acid, 5′-N-acetylamino-2,2′-bipyridine-5-carboxylic acid, were investigated. It was found that the amide derivatives with secondary amines selectively yielded the mer-isomers independently of the ligand structures. On the other hand, for the amides with primary amines, the ratios of the fac- and mer-complexes increased and decreased, respectively, with the increasing sizes of the substituents, suggesting stabilization of the fac-isomers by electrostatic interaction (or hydrogen bondings) between the ligands.

  DOI：

  10.1246/cl.2005.1554