2-[N-(2,4-dimethyl-1,8-naphthyridyl)]amino-5,7-dimethyl-1,8-naphthyridin-7-yl | 958231-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-[N-(2,4-dimethyl-1,8-naphthyridyl)]amino-5,7-dimethyl-1,8-naphthyridin-7-yl
• 英文别名: bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine；bis(5,7-dimethyl-1,8-naphthyrid-2-yl)amine；N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5,7-dimethyl-1,8-naphthyridin-2-amine
• CAS: 958231-59-9
• 化学式: C₂₀H₁₉N₅
• 分子量: 329.404
• InChiKey: ZPHXLOFDHIVIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[N-(2,4-dimethyl-1,8-naphthyridyl)]amino-5,7-dimethyl-1,8-naphthyridin-7-yl 在 2,6-二甲基吡啶 、 三氟化硼乙醚 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以56%的产率得到15,15-difluoro-2,4,10,12-tetramethyl-15H-15l4-[1,3,5,2]triazaborinino[1,6-a:3,4-a']bis([1,8]naphthyridine)-14-ium
  参考文献：
  名称：

  聚集诱导的萘啶-BF2配合物的光致发光变化

  摘要：

  发光硼：已开发出在溶液和固态均具有强发射性的新型1,8-萘啶-BF 2络合物（见图）。已观察到并讨论了DMSO /水混合物中聚集引起的发射蓝移和结晶态中受溶剂影响的发光。

  DOI：

  10.1002/chem.201201592
• 作为产物：
  描述：

  5,7-二甲基[1,8]萘啶-2-胺 、 7-氯-2,4-二甲基-[1,8]萘啶 在 氢氧化钾 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以22%的产率得到2-[N-(2,4-dimethyl-1,8-naphthyridyl)]amino-5,7-dimethyl-1,8-naphthyridin-7-yl
  参考文献：
  名称：

  Conformation impact on spectral properties of bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex

  摘要：

  合成了新型双荧光化合物--双（5,7-二甲基-1,8-萘啶-2-基）胺及其 ZnII 复合物，并对其进行了晶体学表征；它们在 CH2Cl2 中的双荧光和两组结构良好的吸收带归因于分子构象平衡。

  DOI：

  10.1039/b705149b

文献信息

• Zinc(II) complexes with 1,8-naphthyridine-based ligand: Crystal structures and luminescent properties
  作者：Yong Chen、Xi-Juan Zhao、Xin Gan、Wen-Fu Fu

  DOI：10.1016/j.ica.2007.11.035

  日期：2008.6

  luminescent zinc(II) complexes, [Zn(L1)2](ClO4)2 · 2CH2Cl2 (1), [Zn(L2)(OAc)2] · CH2Cl2 (2), [Zn(L2)2][ZnCl4] · 3.5CH2Cl2 (3) and [Zn(L2)2](ClO4)2 (4), respectively. Crystal structures of complexes 1–3 have been determined by X-ray structural analyses as mononuclear complexes with pseudo-tetrahedral geometry. The crystal packing of 1 reveals the coordination cation which is self-assembled to stair chains

  摘要2,4-二甲基-7-（2-吡啶氨基）-1,8-萘啶（L1）与Zn（ClO4）2·6H2O和双（5,7-二甲基-1,8-萘啶-）的反应具有Zn（OAc）2·2H2O，ZnCl2或Zn（ClO4）2·6H2O的2-基）胺配体（L2）提供了四个蓝色发光的锌（II）配合物，[Zn（L1）2]（ClO4）2·2CH2Cl2 （1），[Zn（L2）（OAc）2]·CH2Cl2（2），[Zn（L2）2] [ZnCl4]·3.5CH2Cl2（3）和[Zn（L2）2]（ClO4）2（4 ）， 分别。配合物1-3的晶体结构已通过X射线结构分析确定为具有伪四面体几何形状的单核配合物。1的晶体堆积揭示了通过芳族π-π相互作用自组装成楼梯链的配位阳离子。2中的分子间N–H⋯O氢键生成一个中心对称的H键合二聚体。然而，3的晶格表明分子通过氨基和ZnCl 4 2-阴离子之间广泛的分子间氢键连接，形成一维之字形链。此
• Fluorinated Anions Promoted “on Water” Activity of Di- and Tetranuclear Copper(I) Catalysts for Functional Triazole Synthesis
  作者：Sayantani Saha、Mandeep Kaur、Jitendra K. Bera

  DOI：10.1021/acs.organomet.5b00348

  日期：2015.6.22

  A set of di- and tetra-copper(I) compounds [Cu-2((LH)-H-1)(2)][BArF](2) (1) ((LH)-H-1 = bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine; BArF = [BC6H3(CF3)(2)}(4)]) and [Cu-4(L-1)(2)(L-2)(2)][BNBF](2) (2) (L-2 = 5,7-dimethyl-1,8-naphthyridin-2-amine; BNBF = [NH2B(C6F5)(3)}(2)]), stabilized by naphthyridine-based ligands and containing fluorinated anions, is synthesized. Their catalytic utility for copper(I)-catalyzed azidealkyne coupling (CuAAC) reactions in organic solvents and on water is evaluated. The dimer analogue [Cu-2((LH)-H-1)(2)][BPh4](2) (3) with nonfluorinated anion is synthesized for the purpose of comparison. All three compounds show CuAAC activity in organic solvents, although the performance of 3 is considerably lower. Remarkable rate enhancement is displayed by compounds containing fluorinated anions (1 and 2) under on water conditions for the model reaction involving benzyl azide, affording 98% conversions in 1520 min, where compound 3 gives 76% conversions in 50 min. Kinetic experiments reveal the involvement of two coppers in the cycloaddition process. Employing a host of substrates, the usefulness of fluorinated anions to dramatically improve the catalytic activity of Cu(I) compounds under on water conditions is demonstrated.
• Aggregation-Induced Photoluminescent Changes of Naphthyridine-BF₂Complexes
  作者：Li Quan、Yong Chen、Xiao-Jun Lv、Wen-Fu Fu

  DOI：10.1002/chem.201201592

  日期：2012.11.12

  Luminous boron: New 1,8‐naphthyridine–BF2 complexes with strong emissions both in solution and in the solid state have been developed (see figure). Aggregation‐induced blueshifts of emissions in DMSO/water mixtures and solvent‐influenced luminescence in crystalline states have been observed and are discussed.

  发光硼：已开发出在溶液和固态均具有强发射性的新型1,8-萘啶-BF 2络合物（见图）。已观察到并讨论了DMSO /水混合物中聚集引起的发射蓝移和结晶态中受溶剂影响的发光。
• Conformation impact on spectral properties of bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex
  作者：Yong Chen、Wen-Fu Fu、Jun-Li Li、Xi-Juan Zhao、Xue-Mei Ou

  DOI：10.1039/b705149b

  日期：——

  Novel dual fluorescent compounds, bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex, were synthesized and crystallographically characterized; their dual fluorescence and two groups of well-structured absorption bands in CH2Cl2 were attributed to a molecular conformational equilibrium.

  合成了新型双荧光化合物--双（5,7-二甲基-1,8-萘啶-2-基）胺及其 ZnII 复合物，并对其进行了晶体学表征；它们在 CH2Cl2 中的双荧光和两组结构良好的吸收带归因于分子构象平衡。