5-phenyl-2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline | 1332758-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 5-phenyl-2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline
• 英文别名: 5-Phenyl-2-pyridin-2-yl-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline
• CAS: 1332758-10-7
• 化学式: C₂₀H₁₅N₅
• 分子量: 325.373
• InChiKey: WDMLAXYXMJNLJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Eu(acac)3*H2O 、 5-phenyl-2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline 以 甲醇 为溶剂， 反应 1.0h， 生成 Eu(acetylacetonate)3(5-phenyl-2-(2-pyridyl)-7,8-benzo-6,5-hihydro-1,3,6-triazaindolizine)
  参考文献：
  名称：

  Adducts of lanthanide acetylacetonates with 5-phenyl-2-(2-pyridyl)-7,8-benzo-6,5-dihydro-1,3,6-triazaindolizine: structure and photoluminescence

  摘要：

  研究了一系列式为 Ln(acac)3L（其中 Hacac 为乙酰丙酮，L 为 5-苯基-2-(2-吡啶基)-7,8-苯并-6,5-二氢-1,3,6-三氮杂吲哚嗪，Ln 为 LaIII、TbIII、EuIII 和 SmIII）的等结构配合物。通过 X 射线衍射分析确定了铽和钐配合物的分子和晶体结构。研究了固体样品的发光特性。作为附加配体的 5-苯基-2-（2-吡啶基）-7,8-苯并-6,5-二氢-1,3,6-三氮杂吲哚嗪的配位增加了光致发光的强度。研究了 Eu x Tb1-x (acac)3L 和 La0.6Eu0.1Tb0.3(acac)3L 的发光光谱。几种镧系离子的组合使我们获得了几乎白色的发射。

  DOI：

  10.1007/s11172-014-0625-4
• 作为产物：
  描述：

  2-氰基吡啶 在 sodium methylate 作用下， 以 甲醇 、 乙醇 、 乙二醇 为溶剂， 反应 1.0h， 生成 5-phenyl-2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline
  参考文献：
  名称：

  5-苯基-2-吡啶基-5,6-二氢[1,2,4]三唑并[1,5-c]喹唑啉的合成、结构和光致发光

  摘要：

  研究了水杨醛和苯甲醛与 5-(2-氨基苯基)-3-吡啶基-1H-1,2,4-三唑的反应。反应产物是 5-苯基-2-吡啶基-5,6-二氢[1,2,4]三唑并[1,5-c]喹唑啉。合成化合物的结构由红外光谱和 1 H 和 13 C NMR 光谱确定。研究了溶液和固体样品的发光特性。

  DOI：

  10.1007/s11172-012-0014-9

文献信息

• The reaction of silver(I) nitrate with 5-phenyl-2-(2′-pyridyl)-7,8-benzo-6,5-dihydro-1,3,6-triazaindolizine
  作者：A. N. Gusev、V. F. Shul’gin、M. A. Kiskin、I. L. Eremenko

  DOI：10.1134/s1070328411080033

  日期：2011.8

  The complex of silver(I) with the condensation product of benzaldehyde and 3-(pyridin-2-yl)-5-(2-aminophenyl)-1H-1,2,4-triazole (L), [AgL2]NO3 (I), was synthesized. The reaction of L with silver(I) nitrate was found to afford 2-(2′-pyridyl)-1,4-dihydro-5H-1,3,4-benzotriazepin-5-one along with complex I. The compounds synthesized were characterized by X-ray diffraction analysis.

  银（I）与苯甲醛和3-（吡啶-2-基）-5-（2-氨基苯基）-1 H -1,2,4-三唑（L），[AgL 2 ]的缩合产物的配合物合成了NO 3（I）。l当银（I），硝酸的反应，发现，得到2-（2'-吡啶基）-1,4-二氢- 5 H-1,3,4-苯并三氮杂-5-酮用复杂沿着予。通过X射线衍射分析表征合成的化合物。
• fac-Tricarbonyl rhenium(I) complexes of triazole-based ligands: Synthesis, X-ray structure and luminescent properties
  作者：Kseniia O. Piletska、Konstantin V. Domasevitch、Alexey N. Gusev、Victor F. Shul’gin、Alexander V. Shtemenko

  DOI：10.1016/j.poly.2015.10.030

  日期：2015.12

  The new fac-[Re(CO)(3)](+) complexes with bidentate ligands (5-phenyl-3-(pyridin-2-yl)-1,2,4-triazole L1; 5-(2-aminophenyl)-3-(pyridin-2-yl)-1,2,4-triazole L2; 5-(2-hydroxyphenyl)-3-(pyridin-2-yl)-1,2,4-triazole U; 5-phenyl-2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline L4) were obtained by refluxing [Re(CO)(5)Br] and the ligand in benzene for 5 h. These complexes were characterized by H-1 NMR, elemental analysis, ESI-mass spectrometry and IR spectra. Molecular structures of two complexes were confirmed by X-ray crystallography. The complexes show luminescence emission with large Stokes shifts (lambda(ex) = 365 nm, lambda(em) = 506-620 nm). (C) 2015 Elsevier Ltd. All rights reserved.
• Structural and photophysical studies of europium complexes containing triazole ligands
  作者：Alexey N. Gusev、Victor F. Shul’gin、Svetlana B. Meshkova、Pavel G. Doga、Miki Hasegawa、Grygory G. Aleksandrov、Igor L. Eremenko、Wolfgang Linert

  DOI：10.1016/j.ica.2012.02.016

  日期：2012.5

  Mono- and bistriazoles ligands have been used to prepare ternary mixed ligand europium(III) complexes in which the remaining ligands are dibenzoylmethane anions (DBM). The complexes were characterized by various measurements including single-crystal X-ray crystallography. Photophysical studies on both ligands and the complexes were carried out. The complexes show strong sharp red emissions in the solid state corresponding to D-5(0) -> F-7(J) (J = 0-3) with a D-5(0) -> F-7(2) (612-613 nm) transition as the most prominent one. It was shown that high thermal stability, luminescence intensity and quantum yield comparable or higher than those for the Eu(DBM)(3)Phen makes such complexes a promising material for OLED. (C) 2012 Elsevier B.V. All rights reserved.
• New Zn complexes based on 1,2,4-triazoles: Synthesis, structure and luminescence
  作者：Alexey N. Gusev、Victor F. Shul’gin、Oleg V. Konnic、Svetlana B. Meshkova、Grygory G. Aleksandrov、Mikhail A. Kiskin、Igor L. Eremenko、Wolfgang Linert

  DOI：10.1016/j.ica.2011.07.009

  日期：2011.10

  The reaction of 3-(pyridin-2-yl)-5-(2-aminophenyl)-1H-1,2,4-triazole and salicylaldehyde or benzaldehyde leads a new type of 1,2,4-triazole's derivats. Reactions of these ligands with zinc acetate in ethanol lead to the formation of two new complexes with azomethine or dihydrotriazaindolizine form of ligands. The structures of these complexes were investigated by X-ray analysis. The complexes showed strong green-blue luminescence in solid state. (C) 2011 Elsevier B.V. All rights reserved.
• Structural and photophysical studies on ternary Sm(III), Nd(III), Yb(III), Er(III) complexes containing pyridyltriazole ligands
  作者：Alexey N. Gusev、Victor F. Shul’gin、Svetlana B. Meshkova、Miki Hasegawa、Grigory G. Alexandrov、Igor L. Eremenko、Wolfgang Linert

  DOI：10.1016/j.poly.2012.08.034

  日期：2012.10

  Two bidentate pyridine-triazole ligands (3-(pyridine-2-yl)-5-phenyl-1,2,4-triazole (L1) and 5-phenyl-2-(2'-pyridyl)-7,8-benzo-6,5-dihydro-1,3,6-triazaindolizine (L2)), have been synthesized and used for Ln(Dbm)(3) (Ln = Sm(III), Nd(III), Yb(III) and Er(III)) coordination. The structures of the ligands and resulting Sm(III) complex were determined in the solid state by X-ray diffraction. The title complexes were characterized by UV, fluorescent, IR-spectroscopy and thermogravimetric and elemental analyses. Photophysical studies on the Ln(III) complexes were carried out showing luminescence in the region typical for Ln(III). The effect of various factors on the enhancement luminescence of complexes is discussed. (c) 2012 Elsevier Ltd. All rights reserved.