1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane | 1211337-60-8

• 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: 1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane
• 英文别名: 4-[1-[2-(3-Pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine；4-[1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]pyridine
• CAS: 1211337-60-8
• 化学式: C₁₈H₁₆N₆
• 分子量: 316.365
• InChiKey: TWDMNVMGUAKGTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cobalt(II) tetrafluoroborate hexahydrate 、 1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane 、 sodium thiocyanide 以 甲醇 为溶剂， 以28%的产率得到[Co(1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane)2(NCS)2].infin.
  参考文献：
  名称：

  Chains, helices, sheets and unusual 3D nets: Diverse structures of the flexible, ditopic ligand 1,2-bis(3-(4-pyridyl)pyrazolyl)ethane

  摘要：

  The flexible ditopic ligand 1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane (L-4Et) displays remarkable versatility in the complexes that it forms with transition metals with products ranging from 1 D chains to interpenetrating 3D networks. The L-4Et ligand itself crystallises in the space group P2(1), adopting a helical twist, although it is found in a variety of other conformations in its complexes. Coordination polymers containing the L-4Et ligand vary from almost straight, parallel 1 D chains of [Ag-2(L-4Et)(2)(ClO4)(2)(DMF)]center dot DMF (1), through interdigitating helical complexes containing tetrahedral Zn(II), JZn(NCS)(2)(L-4Et)]center dot DMF center dot H2O (2) to 2D sheets of [Cu(L4(4Et))(2)(H2O)(2)](PF6)(2)center dot xH(2)O (3) and the three-fold interpenetrating 3D network of [Co(L-4Et)(2)(NCS)(2)] (4). The 3D network adopts an unusual 3D 4-connected dmp (6(5).8) topology. Dimensionality can be limited by the use of chelating co-ligands, demonstrated by the formation of the dinuclear complex [(Cu(py-2,6-CO2)(H2O))(2)(L-4Et)] (5). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.05.029
• 作为产物：
  描述：

  4-(1H-吡咯-3-基)吡啶 、 1,2-二溴乙烷 在 四丁基氢氧化铵 、 potassium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 24.0h， 以25%的产率得到1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane
  参考文献：
  名称：

  Chains, helices, sheets and unusual 3D nets: Diverse structures of the flexible, ditopic ligand 1,2-bis(3-(4-pyridyl)pyrazolyl)ethane

  摘要：

  The flexible ditopic ligand 1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane (L-4Et) displays remarkable versatility in the complexes that it forms with transition metals with products ranging from 1 D chains to interpenetrating 3D networks. The L-4Et ligand itself crystallises in the space group P2(1), adopting a helical twist, although it is found in a variety of other conformations in its complexes. Coordination polymers containing the L-4Et ligand vary from almost straight, parallel 1 D chains of [Ag-2(L-4Et)(2)(ClO4)(2)(DMF)]center dot DMF (1), through interdigitating helical complexes containing tetrahedral Zn(II), JZn(NCS)(2)(L-4Et)]center dot DMF center dot H2O (2) to 2D sheets of [Cu(L4(4Et))(2)(H2O)(2)](PF6)(2)center dot xH(2)O (3) and the three-fold interpenetrating 3D network of [Co(L-4Et)(2)(NCS)(2)] (4). The 3D network adopts an unusual 3D 4-connected dmp (6(5).8) topology. Dimensionality can be limited by the use of chelating co-ligands, demonstrated by the formation of the dinuclear complex [(Cu(py-2,6-CO2)(H2O))(2)(L-4Et)] (5). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.05.029

文献信息

• Chains, helices, sheets and unusual 3D nets: Diverse structures of the flexible, ditopic ligand 1,2-bis(3-(4-pyridyl)pyrazolyl)ethane
  作者：Anthony S.R. Chesman、David R. Turner、Tamsyn M. Ross、Suzanne M. Neville、Jinzhen Lu、Keith S. Murray、Stuart R. Batten

  DOI：10.1016/j.poly.2009.05.029

  日期：2010.1

  The flexible ditopic ligand 1,2-bis(3-(4-pyridyl)pyrazol-1-yl)ethane (L-4Et) displays remarkable versatility in the complexes that it forms with transition metals with products ranging from 1 D chains to interpenetrating 3D networks. The L-4Et ligand itself crystallises in the space group P2(1), adopting a helical twist, although it is found in a variety of other conformations in its complexes. Coordination polymers containing the L-4Et ligand vary from almost straight, parallel 1 D chains of [Ag-2(L-4Et)(2)(ClO4)(2)(DMF)]center dot DMF (1), through interdigitating helical complexes containing tetrahedral Zn(II), JZn(NCS)(2)(L-4Et)]center dot DMF center dot H2O (2) to 2D sheets of [Cu(L4(4Et))(2)(H2O)(2)](PF6)(2)center dot xH(2)O (3) and the three-fold interpenetrating 3D network of [Co(L-4Et)(2)(NCS)(2)] (4). The 3D network adopts an unusual 3D 4-connected dmp (6(5).8) topology. Dimensionality can be limited by the use of chelating co-ligands, demonstrated by the formation of the dinuclear complex [(Cu(py-2,6-CO2)(H2O))(2)(L-4Et)] (5). (C) 2009 Elsevier Ltd. All rights reserved.