N,N'-bis(2-pyridylmethyl)diaza-21-crown-7 | 130985-65-8

• 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(2-pyridylmethyl)diaza-21-crown-7
• 英文别名: 10,19-Bis(pyridin-2-ylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane；10,19-bis(pyridin-2-ylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane
• CAS: 130985-65-8
• 化学式: C₂₆H₄₀N₄O₅
• 分子量: 488.627
• InChiKey: OJGZCWMADYZWGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-氯甲基吡啶 、 1,13-二氮杂-21-冠醚-7 生成 N,N'-bis(2-pyridylmethyl)diaza-21-crown-7
  参考文献：
  名称：

  吡啶武装的重氮皇冠醚，用于特定的“过渡金属阳离子”运输

  摘要：

  一系列新的带有吡啶基和喹啉基-臂基团的重氮二氮杂-冠醚首先被证明可以通过三维络合物有效地结合和运输一些“过渡金属阳离子”，而这是普通冠醚无法达到的。

  DOI：

  10.1016/s0040-4039(00)80152-5

文献信息

• Pyridine-armed diaza-crown ethers: molecular design of effective synthetic ionophores
  作者：Hiroshi Tsukube、Kouichi Yamashita、Tadashi Iwachido、Michio Zenki

  DOI：10.1021/jo00001a051

  日期：1991.1

  A variety of double-armed diaza-crown ethers were examined as synthetic ionophores in which pyridine- and quinoline-functionalized arms were attached as secondary donor sites. Binding constant determinations and C-13 NMR titration experiments revealed that introduction of a pyridine-functionalized arm, if in the proper geometrical arrangement, significantly enhanced complex stabilities for divalent metal cations via three-dimensional encapsulation. In a CH2Cl2 liquid membrane transport system, some pyridine-armed diaza-crown ethers exhibited unique and excellent transport abilities for transition-metal cations as well as for alkali and alkaline earth cations. Since these transport profiles differed greatly from those observed with conventional crown ethers, the present study offers new possibilities for designing novel types of synthetic ionophores.