2-N,6-N-bis(phenylmethoxyiminomethyl)pyridine-2,6-dicarboxamide | 1333155-05-7

• 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-N,6-N-bis(phenylmethoxyiminomethyl)pyridine-2,6-dicarboxamide
• CAS: 1333155-05-7；1333155-06-8
• 化学式: C₂₃H₂₁N₅O₄
• 分子量: 431.451
• InChiKey: OQMICUBEUWOPBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲酰胺 在 三氟乙酸 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 3.5h， 生成 2-N,6-N-bis(phenylmethoxyiminomethyl)pyridine-2,6-dicarboxamide
  参考文献：
  名称：

  Z-Formamidoximes in molecular folding and macrocycles

  摘要：

  甲脒肟构象 Z 异构体与吡啶基二甲酰胺构象密码子被用于折叠平面弯曲结构。当嵌入大环时，这种折叠图案可通过π-π堆叠和氢键作用促进二聚化，并形成类似于固态分子通道的管状结构。

  DOI：

  10.1039/c1ob06378b

文献信息

• Z-Formamidoximes in molecular folding and macrocycles
  作者：Weiwen Zhao、Ruiyao Wang、Anne Petitjean

  DOI：10.1039/c1ob06378b

  日期：——

  The formamidoxime configurational Z isomer coupled with the pyridylbiscarboxamide conformational codon were used to fold planar, curved structures. When embedded into macrocycles, this folded motif promotes dimerization through π–π stacking and hydrogen-bonding and the formation of tubules akin to molecular channels in the solid state.

  甲脒肟构象 Z 异构体与吡啶基二甲酰胺构象密码子被用于折叠平面弯曲结构。当嵌入大环时，这种折叠图案可通过π-π堆叠和氢键作用促进二聚化，并形成类似于固态分子通道的管状结构。
• Alkoxyamine-derived Formamidines: Configurational Control and Molecular Folding
  作者：Weiwen Zhao、Ruiyao Wang、Nicholas J. Mosey、Anne Petitjean

  DOI：10.1021/ol202032k

  日期：2011.10.7

  N,N-Disubstituted formamidines, and amidines in general, have very rich configurational, conformational, and tautomeric diversities. As part of an effort to incorporate alkoxyamine-derived formamidine units into foldamers, the first evidence for the isolation of the up-to-now unknown E isomer, the conditions for its exclusive formation, its stability and self-assembly properties, and its configurational isomerization to its much more common Z counterpart are reported. Considering the distinctly different H-bonding patterns displayed by both E and Z isomers, such configurational control may find applications in self-assembly, molecular recognition, and biomimetic systems.