2-[1-[[4-[(3-Pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-1-yl]methyl]pyrazol-3-yl]pyridine | 1196989-84-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[1-[[4-[(3-Pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-1-yl]methyl]pyrazol-3-yl]pyridine
• 英文别名: 2-[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-1-yl]methyl]pyrazol-3-yl]pyridine
• CAS: 1196989-84-0
• 化学式: C₂₈H₂₂N₆
• 分子量: 442.523
• InChiKey: FLLLEOIGVQABNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  氟硼酸镉 、 2-[1-[[4-[(3-Pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-1-yl]methyl]pyrazol-3-yl]pyridine 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以67%的产率得到
  参考文献：
  名称：

  Cu 12和Cd 16协调笼及其Cu 3和Cd 3子成分，以及配体间π堆积在稳定笼络合物中的作用†

  摘要：

  桥接配体L 14Nap包含两个被萘-1,4-二烷基间隔基隔开的螯合吡唑基-吡啶单元，已用于自组装多面体配位笼。最大的这种笼是[Cd 16（L 14Nap）24 ]（BF 4）32，其具有四封端的截短的四面体Cd 16核，其桥连配体跨越每个边缘。该络合物在稀溶液中无限稳定，这使其与先前报道的同构笼[Cd 16（L 14Ph）24 ]（BF 4）32完全不同。（基于1,4-苯基桥）会在结晶时形成，但会缓慢重排为溶液中的较小笼子。与萘基取代苯基相关的配体片段之间的额外配位体π堆积使络合物在溶液中稳定，这为这些笼子组装中配位体π堆积的重要性提供了确凿的证据。 。用Cu（II）代替Cd（II），形成了一个较小的笼[Cu 12（L 14Nap）15 ]（ClO 4）24，该笼包含三螯合（六坐标）和双螯合（四-坐标，如果存在其他单齿配体，则为五坐标）Cu（II）离子 两种结构之间的差异部分是由于两种金属

  DOI：

  10.1039/c3dt50161b

文献信息

• Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component
  作者：Alexander J. Metherell、Michael D. Ward

  DOI：10.1039/c5sc03526k

  日期：——

  Retrosynthetic analysis of a [M16L24]32+ coordination cage shows how it can be assembled rationally, in a stepwise manner, using a combination of kinetically inert and kinetically labile components. Combination of...

  对[M16L24] 32+配位笼的逆合成分析表明，如何结合使用动力学惰性和动力学不稳定的成分，以合理的方式逐步组装。的组合...
• An octanuclear coordination cage with a ‘cuneane’ core—a topological isomer of a cubic cage
  作者：Andrew Stephenson、Michael D. Ward

  DOI：10.1039/c0dt01767a

  日期：——

  The octanuclear coordination cage [Ni8(L14Naph)12](BF4)16 has the core structure of a ‘cuneane’ - a toplogical isomer of a cube - with a metal ion at each of the eight vertices and bridging ligand spanning each of the twelve edges; this is the only possible 8-vertex polyhedron other than a cube that will form a cage in which each metal is connected to three others.

  八核配位笼 [Ni8(L14Naph)12](BF4)16 具有“cuneane”（立方体的拓扑异构体）的核心结构，八个顶点各有一个金属离子，桥接配体跨越每个顶点十二边；这是除了立方体之外唯一可能的 8 顶点多面体，它将形成一个笼子，其中每个金属都与其他三个金属相连。
• d→f Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic “Stepping Stone”
  作者：Daniel Sykes、Simon C. Parker、Igor V. Sazanovich、Andrew Stephenson、Julia A. Weinstein、Michael D. Ward

  DOI：10.1021/ic401410g

  日期：2013.9.16

  A series of luminescent complexes based on Ir-(phpy)(2)} (phpy = cyclometallating anion of 2-phenylpyricline) or Ir(F(2)phpy)(2)} [F(2)phpy = cyclometallating anion of 2-(2',4'-difluorophenyl)pyridine] units, with an additional 3-(2-pyridyl)-pyrazole (pypz) ligand, have been prepared; fluorination of the phenylpyridine ligands results in a blue-shift of the usual (MLCT)-M-3/(LC)-L-3 luminescence of the Ir unit from 477 to 455 nm. These complexes have pendant from the coordinated pyrazolyl ring an additional chelating 3-(2-pyridyl)-pyrazole unit, separated via a flexible chain containing a naphthalene-1,4-diyl or naphthalene-1,5-diyl spacer. Crystal structures show that the flexibility of the pendant chain allows the naphthyl group to lie close to the Ir core and participate in a it-stacking interaction with a coordinated phpy or F(2)phpy ligand. Luminescence spectra show that, whereas the Ir(phpy)(2)(pypz)} complexes show typical Ir-based emission-albeit with lengthened lifetimes because of interaction with the stacked naphthyl group the Ir(F(2)phpy)(2)(pypz)} complexes are nearly quenched. This is because the higher energy of the Ir-based (MLCT)-M-3/(LC)-L-3 excited state can now be quenched by the adjacent naphthyl group to form a long-lived naphthyl-centered triplet ((3)nap) state which is detectable by transient absorption. Coordination of an Eu(hfac)(3)} unit (hfac = 1,1,1,5,5,5-hexafluoro-pentane-2,4-dionate) to the pendant pypz binding site affords Ir-naphthyl-Eu triads. For the triads containing a Ir(phpy)(2)} core, the unavailability of the 3nap state (not populated by the Ir-based excited state which is too low in energy) means that direct Ir -> Eu energy-transfer occurs in the same way as in other flexible Ir/Eu complexes. However for the triads based on theIr(F(2)phpy)(2)} core, the initial Ir-)3nap energy-transfer step is followed by a second, slower, (3)nap -> Eu energy-transfer step: transient absorption measurements clearly show the (3)nap state being sensitized by the Ir center (synchronous Jr-based decay and (3)nap rise-time) and then transferring its energy to the Eu center (synchronous (3)nap decay and Eu-based emission rise time). Thus the (3)nap state, which is energetically intermediate in the Ir(F(2)phpy)(2)}-naphthyl-Eu systems, can act as a "stepping stone" for two-step d -> f energy-transfer.
• Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes
  作者：Andrew Stephenson、Daniel Sykes、Michael D. Ward

  DOI：10.1039/c3dt50161b

  日期：——

  isostructural cage [Cd16(L14Ph)24](BF4)32 (based on a 1,4-phenyl bridge) that forms on crystallisation but slowly rearranges to smaller cages in solution. The additional inter-ligand π-stacking between ligand fragments associated with replacement of a phenyl group by a naphthyl group allows the complex to be stable in solution, providing conclusive proof of the importance of inter-ligand π-stacking in

  桥接配体L 14Nap包含两个被萘-1,4-二烷基间隔基隔开的螯合吡唑基-吡啶单元，已用于自组装多面体配位笼。最大的这种笼是[Cd 16（L 14Nap）24 ]（BF 4）32，其具有四封端的截短的四面体Cd 16核，其桥连配体跨越每个边缘。该络合物在稀溶液中无限稳定，这使其与先前报道的同构笼[Cd 16（L 14Ph）24 ]（BF 4）32完全不同。（基于1,4-苯基桥）会在结晶时形成，但会缓慢重排为溶液中的较小笼子。与萘基取代苯基相关的配体片段之间的额外配位体π堆积使络合物在溶液中稳定，这为这些笼子组装中配位体π堆积的重要性提供了确凿的证据。 。用Cu（II）代替Cd（II），形成了一个较小的笼[Cu 12（L 14Nap）15 ]（ClO 4）24，该笼包含三螯合（六坐标）和双螯合（四-坐标，如果存在其他单齿配体，则为五坐标）Cu（II）离子 两种结构之间的差异部分是由于两种金属