3-(2-amino-4-methoxylpyrimidin-6-yl)pyridine | 861405-08-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(2-amino-4-methoxylpyrimidin-6-yl)pyridine
• 英文别名: 3-(2-amino-4-methoxypyrimidin-6-yl)pyridine；4-Methoxy-6-(3-pyridinyl)-2-pyrimidinamine；4-methoxy-6-pyridin-3-ylpyrimidin-2-amine
• CAS: 861405-08-5
• 化学式: C₁₀H₁₀N₄O
• 分子量: 202.216
• InChiKey: VIKWQBRZQRRWPC-UHFFFAOYSA-N

物化性质

• 熔点：
  138-140 °C(Solv: ethanol (64-17-5))
• 沸点：
  456.2±53.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-amino-4-methoxylpyrimidin-6-yl)pyridine 、 copper diacetate 以 甲醇 、 乙腈 为溶剂， 生成 tetrakis(μ-acetato-O,O')-bis(3-(2-amino-4-methoxylpyrimidin-6-yl)pyridine)-dicopper(II)
  参考文献：
  名称：

  Directed supramolecular assembly of Cu(ii)-based “paddlewheels” into infinite 1-D chains using structurally bifunctional ligands

  摘要：

  通过将合适的阴离子配体（用于控制配位几何和创建中性构件）与四种新的双功能配体（包含一个金属配位吡啶基位点和一个自互补氢键分子）相结合，可以构建含铜（II）的超分子链。本文展示了七种晶体结构，每种情况下，铜（II）配合物都呈现 "桨轮 "排列，四个羧酸配体占据赤道位点，为双功能配体在轴向位点配位留出了空间。在七种结构中的五种结构中，NâHâ¯N 和 NâHâ¯O 氢键的组合推动了超分子化学反应，这种化学反应将配位复合物组织成所需的无限一维链。

  DOI：

  10.1039/b513765a

文献信息

• Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands
  作者：Christer B. Aakeröy、Nate Schultheiss、John Desper

  DOI：10.1021/ic048405y

  日期：2005.7.1

  The directed assembly of six different M(II) complexes (M = Cu, Co, and Ni) into infinite chains has been achieved by combining anionic chelating ligands (for controlling the coordination geometry) with bifunctional ligands containing a metal-coordinating pyridyl moiety and a self-complementary hydrogen-bonding moiety. Six crystal structures are presented, and in each case, the chelating acac ligand occupies the four equatorial coordination sites leaving room for the bifunctional ligand to coordinate in the axial positions. The supramolecular chemistry, which organizes the coordination complexes into the desired infinite 1-D chains, is driven by a combination of N-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds.
• Directed supramolecular assembly of Cu(<scp>ii</scp>)-based “paddlewheels” into infinite 1-D chains using structurally bifunctional ligands
  作者：Christer B. Aakeröy、Nate Schultheiss、John Desper

  DOI：10.1039/b513765a

  日期：——

  The construction of Cu(II)-containing supramolecular chains is achieved by combining suitable anionic ligands (for controlling the coordination geometry and for creating a neutral building block) with four new bifunctional ligands containing a metal-coordinating pyridyl site and a self-complementary hydrogen-bonding moiety. Seven crystal structures are presented and in each case, the copper(II) complex displays a “paddlewheel” arrangement, with four carboxylate ligands occupying the equatorial sites, leaving room for the bifunctional ligand to coordinate in the axial positions. The supramolecular chemistry, which organizes the coordination-complexes into the desired infinite 1-D chains, is driven by a combination of N–H⋯N and N–H⋯O hydrogen-bonds in five of the seven structures.

  通过将合适的阴离子配体（用于控制配位几何和创建中性构件）与四种新的双功能配体（包含一个金属配位吡啶基位点和一个自互补氢键分子）相结合，可以构建含铜（II）的超分子链。本文展示了七种晶体结构，每种情况下，铜（II）配合物都呈现 "桨轮 "排列，四个羧酸配体占据赤道位点，为双功能配体在轴向位点配位留出了空间。在七种结构中的五种结构中，NâHâ¯N 和 NâHâ¯O 氢键的组合推动了超分子化学反应，这种化学反应将配位复合物组织成所需的无限一维链。