4-[2,6-二(2-吡啶基)-4-吡啶基]-2,6-二(2-吡啶基)吡啶 | 128143-86-2

• 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
• 中文名称: 4-[2,6-二(2-吡啶基)-4-吡啶基]-2,6-二(2-吡啶基)吡啶
• 中文别名: 6',6''-二(吡啶-2-基)-2,2':4',4'':2'',2'''-四吡啶
• 英文名称: 6',6''-bis(2-pyridyl)-2,2':4',4'':2'',2'''-quaterpyridine
• 英文别名: 2,2′:4′,4″:2″,2′″-quarterpyridyl-6′,6″-di-2-pyridine；6′,6″-di(pyridin-2-yl)-2,2′:4′,4″:2″,2′′′-quaterpyridine；bisterpy；2,2':4':2'',2'''-quaterpyridyl-6',6''-di-2-pyridine；6',6''-bis-(2-pyridyl)-2,2':4',4'':2'',2'''-quarter-pyridine；6,6',6''-bis(2-pyridyl)-2,2':4',4'':2'',2'''-quaterpyridine；6',6''-di-(2-pyridyl)-2,2':4',4'':2'',2'''-quaterpyridine；2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine；2,2':4',4'':2'',2'''-quaterpyridyl-6',6''-di-2-pyridine；tpy-tpy；qtp；4-(2,6-dipyridin-2-ylpyridin-4-yl)-2,6-dipyridin-2-ylpyridine
• CAS: 128143-86-2
• 化学式: C₃₀H₂₀N₆
• 分子量: 464.529
• InChiKey: MJIFJDSQZXDTOT-UHFFFAOYSA-N

物化性质

• 熔点：
  318-320 °C
• 沸点：
  640.1±50.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 储存条件：
  | 室温，惰性气体 |

反应信息

• 作为反应物：
  描述：

  4-[2,6-二(2-吡啶基)-4-吡啶基]-2,6-二(2-吡啶基)吡啶 、 copper(ll) bromide 以 水 为溶剂， 以80%的产率得到[Cu2(2,2':4',4'':2'',2'''-quaterpyridyl-6',6''-di-2-pyridine)Br4]
  参考文献：
  名称：

  Anion influences on the construction of one-dimensional structures of the Cu(II)–bisterpy family (bisterpy=2,2′:4′,4″:2″,2‴-quarterpyridyl, 6′,6″-di-2-pyridiine)

  摘要：

  The hydrothermal reactions of M(II) salts with 2,2':4',4":2",2"'-quaterpyridyl, 6,6"-di-2-pyridine (bisterpy) in the presence of a variety of anionic subunits have been investigated. The compounds [Cu-2(bisterpy)(H2O)(2)Cl-2]Cl-2 (1), [Cu-2(bisterpy)Br-4] (2), and [Cu-2(bisterpy) (NO3)(4)] . 2H(2)O (3 . 2H(2)O) are molecular. In contrast, [Cu-2(bisterpy)Cl-2(PF6)] (4), [Mn-2(bisterpy)(SO4)(2)] (5), [Zn-2(bisterpy)(SO4)(2)] (6), [Cu-2(phbisterpy)(SO4)(2)] . 2H(2)O (7 . 2H(2)O), [Cu-2(bisterpy)(MoO4)(2)] (8), [Zn-2(bisterpy)(MoO4)(2)] (9) [Cu-2(bisterpy)(H2O)(2)(SO4)] [Mo4O13] . 1.25H(2)O (10 . 1.25H(2)O) and [Cu-2(bisterpy)Mo8O26] . 2H(2)O (11-2H(2)O) are one-dimensional materials. The structural evolution of the molybdate series 8, 10, and 11 illustrates the profound influence of hydrothermal reaction conditions on product identity and architecture. The (PF6)(-) bridged solid 4 is mixed valence Cu(I)/Cu(II), a feature consistent with the magnetic properties of this material. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00186-5
• 作为产物：
  描述：

  2-吡啶甲酸乙酯 在 ammonium hexafluorophosphate 、 bis(triphenylphosphine)nickel(II) chloride 、 五氯化磷 、 氰化钠 、 ammonium acetate 、 sodium hydride 、 三苯基膦 、 锌 、 三氯氧磷 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 33.0h， 生成 4-[2,6-二(2-吡啶基)-4-吡啶基]-2,6-二(2-吡啶基)吡啶
  参考文献：
  名称：

  6′，6″-双（2-吡啶基）-2，2′：4，4″：2″，2″′-四吡啶的合成和配位行为；'背对背'2,2'：6'，2''-吡啶

  摘要：

  已经制备了低聚吡啶6'，6″-双（2-吡啶基）2，2′：4，4″：2″，2″′-四吡啶（L）。它可以被认为是众所周知的2,2'：6'2''-叔吡啶（叔丁基）的“背对背”类似物。已经表征了与钌（II）和钯（II）的配合物。二钌（II）络合阳离子[（terpy）RuLRu（terpy）] 4+已显示没有Ru-Ru相互作用，并且表现为两个非相互作用的Ru（terpy）2单元。

  DOI：

  10.1039/dt9900001405

文献信息

• The synthesis of 4′-aryl substituted terpyridines by Suzuki cross-coupling reactions: substituent effects on ligand fluorescence
  作者：Wendy Goodall、Kerstin Wild、Kathryn J. Arm、J. A. Gareth Williams

  DOI：10.1039/b205330f

  日期：——

  Several 4′-aryl-substituted 2,2′:6′,2″-terpyridines (tpy-C6H4R) have been prepared by palladium-catalysed cross-coupling of 4′-bromoterpyridine or 4′-triflate-terpyridine (triflate = trifluoromethylsulfonyloxy) with aryl boronic acids or esters, RC6H4B(OR′)2 (R = H, m-NH2, p-CHO, -NO2, -CN, -NMe2, -NPh2). The new ligand 4′-mesitylterpyridine (mesityl = 2,4,6-trimethylphenyl) was prepared in the same way. Similarly, 4′-bromophenylterpyridine (tpy-ϕ-Br) has been cross-coupled with aryl halides to generate several new biaryl-substituted terpyridines (tpy-ϕ-C6H4R where R = H, p-CN, NMe2, NPh2), together with two related compounds with pendent 3- or 4-pyridyl groups (tpy-ϕ-C6H4-py). For selected compounds, the alternative coupling strategy of reaction of a terpyridine-4-boronate or terpyridine-4-phenylboronate with the appropriate aryl halide has also been investigated (e.g. to prepare tpy-ϕ-C6H4NO2), but was generally found to be less satisfactory. All of the compounds are fluorescent in the UV region of the spectrum, the biaryl-substituted compounds being only slightly red-shifted compared to the monoaryl systems, but with the further red-shift that accompanies protonation being more significant for the former. Fluorescence lifetimes in solution are in the range 1–5 ns. The emission spectra of the aminobiphenyl-substituted compounds (tpy-ϕ-C6H4NR″2, where R″ = Me or Ph) display a large red-shift with increasing solvent polarity, suggesting the involvement of an intramolecular charge transfer state, as found previously for the two analogues omitting the phenyl ring (tpy-C6H4NR″2). In contrast to the latter, however, protonation or binding of a Lewis acidic metal ion to the aminobiphenyl compounds serves to quench almost completely their emission.

  通过钯催化的交叉偶联反应，制备了几种4′-芳基取代的2,2′:6′,2″-三联吡啶（tpy-C6H4R），涉及4′-溴三联吡啶或4′-三氟甲磺酸酯三联吡啶（triflate = 三氟甲磺酰氧基）与芳基硼酸或硼酸酯的反应，RC6H4B(OR′)2（R = H, m-NH2, p-CHO, -NO2, -CN, -NMe2, -NPh2）。新配体4′-三甲基苯基三联吡啶（mesityl = 2,4,6-三甲基苯基）也通过相同方法制备。类似地，4′-溴苯基三联吡啶（tpy-Φ-Br）已与芳基卤化物交叉偶联，生成了几种新的双芳基取代三联吡啶（tpy-Φ-C6H4R，其中R = H, p-CN, NMe2, NPh2），以及两种含有3-或4-吡啶基侧链的相关化合物（tpy-Φ-C6H4-py）。对于选定的化合物，还研究了替代的偶联策略，即反应一个三联吡啶-4-硼酸酯或三联吡啶-4-苯基硼酸酯与适当的芳基卤化物（例如制备tpy-Φ-C6H4NO2），但通常发现效果较差。所有化合物在紫外区域都有荧光发射，双芳基取代的化合物相比于单芳基系统仅有轻微的红移，但其伴随质子化产生的进一步红移对前者更为显著。溶液中的荧光寿命在1~5纳秒范围内。氨基联苯取代化合物的发射光谱（tpy-Φ-C6H4NR″2，其中R″ = Me或Ph）随着溶剂极性的增加显示出较大的红移，表明存在分子内电荷转移态，这与先前报道的两种省略苯环的类似物（tpy-C6H4NR″2）一致。然而，与后者不同，氨基联苯化合物在质子化或与路易斯酸性金属离子结合时，其发射几乎完全淬灭。
• A kinetic and mechanistic study of dinuclear Pt(II) 2,2′:6′,2″-terpyridine compounds bridged with polyethyleneglycol ether flexible linkers
  作者：A. Shaira、D. Jaganyi

  DOI：10.1080/00958972.2015.1064114

  日期：2015.9.17

  series of dinuclear Pt(II) complexes bridged with polyethyleneglycol ether of the type [ClPt(tpy)O(CH2CH2O)n(tpy)PtCl]Cl2 where n = 1 (Ptdteg), 2 (Ptdtdeg), 3 (Ptdtteg), 4 (Ptdttteg), and linker-free complex, (Ptdt) (where tpy = 2,2′:6′,2″-terpyridine), were synthesized and characterized to investigate the role of bridging polyethyleneglycol ether linker on the substitution reactivity of dinuclear Pt(II)

  一系列与 [ClPt(tpy)O(CH2CH2O)n(tpy)PtCl]Cl2 型聚乙二醇醚桥接的双核 Pt(II) 配合物，其中 n = 1 (Ptdteg)、2 (Ptdtdeg)、3 (Ptdteg)，合成并表征了 4 (Ptdttteg) 和无接头复合物 (Ptdt)（其中 tpy = 2,2':6',2”-三联吡啶），以研究桥接聚乙二醇醚接头对取代反应活性的作用。双核 Pt(II) 配合物。使用硫脲亲核试剂研究取代反应，即。硫脲 (TU)、1,3-二甲基-2-硫脲 (DMTU)、1,1,3,3-四甲基-2-硫脲 (TMTU) 在伪一级条件下作为浓度和温度的函数停流反应分析仪。反应按照速率定律 kobs = k2[Nu] 给出单指数拟合。聚乙二醇醚接头的引入降低了铂中心和整个配合物的亲电性。获得的结果表明取代率受电子和空间位阻的控制，随着连接子的长度增加而增加。实验结果得到了密度泛函理论计算和在
• POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20180094000A1

  公开（公告）日：2018-04-05

  The objective of the invention is to provide a polycyclic aromatic compound in which solubility to a solvent, film formability, wet coatability, thermal stability, and in-plane orientation are improved. This objective is achieved by a light emission layer-forming composition comprising: as a first component, at least one type of dopant material selected from the group consisting of polycyclic aromatic compounds represented by general formula (A) and polycyclic aromatic oligomer compounds including a plurality of structures represented by general formula (A); as a second component, a specific low-molecular-weight host material; and, as a third component, at least one type of organic solvent. In formula (A), ring A, ring B, and ring C each independently represent an aryl ring or a hetero aryl ring, Y 1 is B, and X 1 and X 2 each independently represent O or N—R wherein at least one of X 1 and X 2 is N—R.

  该发明的目的是提供一种多环芳香化合物，其溶解性、膜形成性、湿涂性、热稳定性和平面取向性得到改善。通过包括以下组分的发光层形成组合物实现这一目标：作为第一组分，至少一种从一般式（A）表示的多环芳香化合物和包括多个从一般式（A）表示的结构的多环芳香寡聚物化合物中选择的掺杂材料；作为第二组分，特定的低分子量载体材料；作为第三组分，至少一种有机溶剂。在式（A）中，环A、环B和环C分别独立表示芳基环或杂环芳基环，Y1是B，X1和X2分别独立表示O或N—R，其中X1和X2中至少一个是N—R。
• Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium–copper–bisterpy–{O₃P(CH₂)_nPO₃}⁴⁻system, n = 1–5 (bisterpy = 2,2′:4′,4″:2″,2‴-quaterpyridyl-6′,6″-di-2-pyridine)
  作者：Wayne Ouellette、Vladimir Golub、Charles J. O'Connor、Jon Zubieta

  DOI：10.1039/b412808g

  日期：——

  [Cu2(bisterpy)}3V4O8(OH)2O3P(CH2)3PO3}2HO3P(CH2)3PO3}2] x 5H2O (7 x 5H2O) cocrystallized from the reaction mixture which provided 5. The overall architectures reveal embedded substructures based on V/P/O(F) clusters, chains, networks, and frameworks. In contrast to the oxovanadium/Cu2(bisterpy)/ organodiphosphonate family, several of the materials of this study also exhibit the direct condensation of vanadium

  在HF存在下，钒酸盐源，适当的Cu（II）源，二铵和有机二膦酸盐H2O3P（CH2）nPO3H2（n = 1-5）的水热反应产生了一系列氧氟钒/铜类型的材料-双酯/有机二膦酸酯。在相似的反应条件下，二膦酸盐系链长度n的变化提供了一维[Cu2（bisterpy）} V2F2O2 HO3PCH2PO3} O3PCH2PO3}]（1）和[Cu2（bisterpy）} V2F4O4 HO3P（CH2）2PO3H} ]（3），二维[Cu2（bisterpy）} V2F2O2（H2O）2 HO3P（CH2）2PO3} 2] x 2H2O（2 x 2H2O），[Cu2（bisterpy）（H2O2} V2F2O2 O3P （CH2）3PO3} HO3P（CH2）3PO3H}（4）和[Cu2（bisterpy）} V4F4O4（OH）（H2O）HO3P（CH2）5PO3} O3P（CH2）5PO3}]
• Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium–copper–bisterpy–{O₃P(CH₂)_nPO₃}⁴⁻system, n = 1–6 (bisterpy = 2,2′:4′,4″:2″,2‴-quarterpyridyl-6′,6″-di-2-pyridine)
  作者：Wayne Ouellette、Bon-Kweon Koo、Eric Burkholder、Vladimir Golub、C. J. O'Connor、Jon Zubieta

  DOI：10.1039/b401669f

  日期：——

  Hydrothermal reactions of Na3VO4, an appropriate Cu(II) source, bisterpy and an organodiphosphonate, H2O3P(CH2)nPO3H2 (n = 1–6) yielded a family of materials of the type Cu2(bisterpy)}4+/VxOyn−/O3P(CH2)nPO3}4−. This family of bimetallic oxides is characterized by an unusual structural diversity. The oxides [Cu2(bisterpy)}V2O4O3PCH2PO3H}2] (1), [Cu2(bisterpy)(H2O)}VO2O3P(CH2)3PO3}HO3P(CH2)3PO3H2}] (4) and [Cu2(bisterpy)}V2O4O3P(CH2)6PO3H}2]·2H2O (7·2H2O) are one-dimensional, while [Cu2(bisterpy)(H2O)2}V2O4O3P(CH2)2PO3}HO3P(CH2)2PO3H}2] (2), [Cu2(bisterpy)}V4O8O3P(CH2)3PO3}2]·4H2O (3·4H2O) and [Cu2(bisterpy)}V2O4(OH)2O3P(CH2)4PO3}]·4H2O (5·4H2O) are two-dimensional. The V(IV) oxide [Cu2(bisterpy)}V4O4O3P(CH2)5PO3H}4]·7.3H2O (6·7.3H2O) provides a relatively unusual example of a three-dimensional bimetallic oxide phosphonate. The structures reveal a variety of V/P/O substructures as building blocks.

  Na3VO4、适当的Cu(II)源、bisterpy和一种有机二膦酸盐H2O3P(CH2)nPO3H2（n = 1-6）在水热反应中产生了一系列材料，类型为Cu2(bisterpy)}4+/VxOyn−/O3P(CH2)nPO3}4−。这类双金属氧化物具有不寻常的结构多样性。氧化物[Cu2(bisterpy)}V2O4O3PCH2PO3H}2] (1)、[Cu2(bisterpy)(H2O)}VO2O3P(CH2)3PO3}HO3P(CH2)3PO3H2}] (4)和[Cu2(bisterpy)}V2O4O3P(CH2)6PO3}2]·2H2O (7·2H2O)是三维的，而[Cu2(bisterpy)(H2O)2}V2O4O3P(CH2)2PO3}HO3P(CH2)2PO3H}2] (2)、[Cu2(bisterpy)}V4O8O3P(CH2)3PO3}2]·4H2O (3·4H2O)和[Cu2(bisterpy)}V2O4(OH)2O3P(CH2)4PO3}]·4H2O (5·4H2O)是二维的。V(IV)氧化物[Cu2(bisterpy)}V4O4O3P(CH2)5PO3H}4]·7.3H2O (6·7.3H2O)提供了一个相对不寻常的三维双金属氧化物膦酸盐的例子。结构显示出多样的V/P/O亚结构作为构建模块。