N,N'-bis(3,5-dimethyl-4-pyridinyl)-4-ethoxy-2,6-pyridinedicarboxamide | 828915-44-2

• 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: N,N'-bis(3,5-dimethyl-4-pyridinyl)-4-ethoxy-2,6-pyridinedicarboxamide
• 英文别名: N~2~,N~6~-Bis(3,5-dimethylpyridin-4-yl)-4-ethoxypyridine-2,6-dicarboxamide；2-N,6-N-bis(3,5-dimethylpyridin-4-yl)-4-ethoxypyridine-2,6-dicarboxamide
• CAS: 828915-44-2
• 化学式: C₂₃H₂₅N₅O₃
• 分子量: 419.483
• InChiKey: ZSJDSZYWZFMKPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1,3-bis(diphenylphosphino)propane)bis(trifluoromethanesulfonato)platinum(II) 、 N,N'-bis(3,5-dimethyl-4-pyridinyl)-4-ethoxy-2,6-pyridinedicarboxamide 以 氘代氯仿 为溶剂， 以100%的产率得到[((dppp)Pt(N,N'-bis(3,5-dimethyl-4-pyridinyl)-4-ethoxy-2,6-pyridinedicarboxamide))2](triflate)4
  参考文献：
  名称：

  Anion−π−π Interactions in a Dinuclear M₂L₂Metallocycle

  摘要：

  The combination of the square-planar cis-protected [Pt(dppp) (O3SCF3)(2)] (M) with the ditopic N, N'-bis(3,5-dimethyl-4-pyridinyl)-4-ethoxy-2,6-pyridinedicarboxamide ligand (L) leads both in solution and in the solid state to the quantitative self-assembly of a M2L2 metallocycle. We also report crystallographic evidence derived from the solid-state structure of the dinuclear metallocycle in support of the existence of anion-pi-pi interactions.

  DOI：

  10.1021/ic801282r
• 作为产物：
  描述：

  4-ethoxy-2,6-pyridinedicarbonyl dichloride 、 3,5-二甲基-4-氨基吡啶 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以56%的产率得到N,N'-bis(3,5-dimethyl-4-pyridinyl)-4-ethoxy-2,6-pyridinedicarboxamide
  参考文献：
  名称：

  Self-assembly of [2]Rotaxane Exploiting Reversible Pt(II)- Pyridine Coordinate Bonds

  摘要：

  一个基于铂(II)-N(吡啶)配位键的二核自组装阳离子大环，具有与金属对离子竞争的三氟甲磺酸阴离子，用于构建由氢键辅助的[2]旋转链和[2]伪旋转链结构。铂(II)-N(吡啶)配位键的动力学活性控制着[2]旋转链的动态性。

  DOI：

  10.3390/90500278

文献信息

• Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles
  作者：Pablo Ballester、Antoni Costa、Pere M. Deyà、Antonio Frontera、Rosa M. Gomila、Ana I. Oliva、Jeremy K. M. Sanders、Christopher A. Hunter

  DOI：10.1021/jo0505369

  日期：2005.8.1

  [GRAPHICS]A series of heterodimeric tetralactam macrocycles have been self-assembled using two kinetically labile zinc porphyrin-pyridine interactions. The stability constants have been determined by UVvis titrations in CHCl(3). The stability constants depend on the degree of preorganization of the linker units connecting the interacting groups. The ability of the self-assembled macrocycles to bind a terephthalamide guest was also investigated. One of the macrocycles was used for the construction of a [2]rotaxane. The dynamic properties of this system provide insight into the exchange mechanisms that operate in complex noncovalent assemblies.