5'-N-acetylamino-2,2'-bipyridine-5-CO-N-dicyclohexane | 685134-00-3

• 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: 5'-N-acetylamino-2,2'-bipyridine-5-CO-N-dicyclohexane
• 英文别名: MeCO-5Bpy-N(cHex)2；Ac-5Bpy-N-c-Hex2；6-(5-acetamidopyridin-2-yl)-N,N-dicyclohexylpyridine-3-carboxamide
• CAS: 685134-00-3
• 化学式: C₂₅H₃₂N₄O₂
• 分子量: 420.555
• InChiKey: VIOYTQBWTRESKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium iron(II) sulfate hexahydrate 、 5'-N-acetylamino-2,2'-bipyridine-5-CO-N-dicyclohexane 以 甲醇 、 水 为溶剂， 生成 fac-[iron(II)(5'-N-acetylamino-2,2'-bipyridine-5-CO-N-(cyclohexane)2)3]SO4 、 mer-[iron(II)(5'-N-acetylamino-2,2'-bipyridine-5-CO-N-(cyclohexane)2)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

文献信息

• Photophysical Properties and Excitation Polarization of <i>f</i><i>ac/</i><i>m</i><i>er</i>-Ruthenium Complexes with 5‘-Amino-2,2‘-bipyridine-5-carboxylic Acid Derivatives
  作者：Masato Kyakuno、Shigero Oishi、Hitoshi Ishida

  DOI：10.1021/ic052002w

  日期：2006.5.1

  the emission oscillators, for the fac- and mer-ruthenium(II) complexes (C3 and C1 symmetry, respectively) have been measured for the first time. Almost no difference in the excitation polarization spectra between the fac and mer complexes is found, and these spectra are similar to that for [Ru(bpy)3]2+ with D3 symmetry. This finding suggests that the orientations of the absorption and emission oscillators

  新型钌（II）配合物fac / mer- [Ru（MeCO-5Bpy-R）3] 2+（H-5Bpy-OH = 5'-氨基-2,2'-联吡啶-5-羧酸; R =已经合成了-NHtBu，-NH（cHex），-N（cHex）2）。已使用HPLC技术成功分离了fac和mer异构体，并对其光物理/电化学性质进行了研究。在室温下，fac / mer- [Ru（MeCO-5Bpy-R）3] 2+与仲胺（R = -N（cHex）2）在乙腈中的吸收和发射光谱中，最大波长基于MLCT比具有伯胺的酰胺衍生物更长（R = -NHtBu，-NH（cHex））。已观察到少量溶剂对fac-和mer- [Ru（MeCO-5Bpy-NHtBu）3] 2+的光物理性质的影响。激发极化光谱 首次测量了f-钌和mer-钌（II）配合物（分别为C3和C1对称性）的P值，反映了吸收和发射振荡器之间的关系。在fac和mer配合物之间几