4-phenyl-2-(tetrazol-5-yl)pyridine

• 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: 4-phenyl-2-(tetrazol-5-yl)pyridine
• 英文别名: 4-phenyl-2-(2H-tetrazol-5-yl)pyridine
• 化学式: C₁₂H₉N₅
• 分子量: 223.237
• InChiKey: JDMQQGOIZXQQLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(4,4'-dicarboxy-2,2'-bipyridine)dichlororuthenium(II) 、 4-phenyl-2-(tetrazol-5-yl)pyridine 以 甲醇 为溶剂， 反应 18.0h， 以48%的产率得到[Ru(5-(4-phenyl-2-pyridyl)tetrazolate)2(4,4′-dicarboxylic acid-2,2′-bipyridine)2]Cl
  参考文献：
  名称：

  New thiocyanate-free ruthenium(ii) sensitizers with different pyrid-2-yl tetrazolate ligands for dye-sensitized solar cells

  摘要：

  报道了两种新的稳定无硫氰基Ru（II）配合物的合成，配体分别为不同的吡啶-2-基四唑，同时也报道了有前途的DSSCs。

  DOI：

  10.1039/c5dt01216c
• 作为产物：
  描述：

  2-氰基吡啶 在 sodium azide 作用下， 以 水 为溶剂， 生成 4-phenyl-2-(tetrazol-5-yl)pyridine
  参考文献：
  名称：

  BIDENTATE HETEROLEPTIC SQUARE PLANAR COMPLEXES OF (PYRIDYL)AZOLATES

  摘要：

  (吡啶基)唑啉配体的双齿异配方平面配合物具有光学和电学性质，使它们在各种光学和电学设备及应用中非常有用。特别是，这些配合物可用于获得白色或单色有机发光二极管（“OLEDs”），包括无掺杂的OLEDs。首选形式还表现出半导体行为，可能在各种其他应用中有用。在(吡啶基)唑啉配体的一般配合物中，金属和配体可以变化以赋予不同的光电性质。

  公开号：

  US20150155504A1

文献信息

• [EN] BIDENTATE HETEROLEPTIC SQUARE PLANAR COMPLEXES OF (PYRIDYL)AZOLATES<br/>[FR] COMPLEXES BIDENTÉS HÉTÉROLEPTIQUES PLAN-CARRÉS DE (PYRIDIL)AZOLATES
  申请人：UNIV NORTH TEXAS

  公开号：WO2015084906A1

  公开（公告）日：2015-06-11

  Bidentate heteroleptic square planar complexes of (pyridyl)azolates possess optical and electrical properties that render them useful for a wide variety of optical and electrical devices and applications. In particular, the complexes are useful for obtaining white or monochromatic organic light-emitting diodes ("OLEDs"), including doping-free OLEDs. Preferred forms also demonstrate semiconducting behavior and may be useful in a variety of other applications. Within the general complexes of (pyridyl)azolates, the metal and the ligands may be varied to impart different optoelectronic properties.

  (吡啶基)唑酮的双齿异配方平面四方配合物具有光学和电学性质，使它们适用于各种光学和电学设备和应用。特别是，这些配合物适用于获得白色或单色有机发光二极管（“OLEDs”），包括无掺杂的OLEDs。首选形式还表现出半导体行为，并可能在各种其他应用中有用。在(吡啶基)唑酮的一般配合物中，金属和配体可以变化以赋予不同的光电性能。
• Copper(I) complexes for optoelectronic devices
  申请人：Baumann Thomas

  公开号：US09266906B2

  公开（公告）日：2016-02-23

  Copper(I) complexes for the emission of light with a structure according to formula A: wherein: M is Cu(I); L-B-L: a neutral, bidentate ligand, Z4-Z7: includes N or the fragment CR, with R=organic group, selected from the group consisting of: hydrogen, halogen or deuterium or groups which are bound via oxygen (—OR′″), nitrogen (—NR′″2), or phosphorous atoms (PR′″2) as well as alkyl, aryl, heteroaryl, alkenyl, alkinyl, trialkylsilyl and triarylsilyl groups or substituted alkyl, aryl, heteroaryl and alkenyl groups with substituents such as halogens or deuterium or lower alkyl groups; X is either CR′″2 or NR′″; Y is either O, S or NR′″; Z8 includes the fragment CR′, with R′=O*R′″, N*R′″2 or P*R′″2, wherein the bond to the Cu atom is carried out via these groups; R″ is a sterically demanding substituent, which inhibits a change in geometry in direction to planarization of the complex in excited state, R′″=organic group which is selected from the group consisting of: hydrogen, halogen or deuterium, as well as alkyl, aryl, heteroaryl, alkenyl, alkinyl groups or substituted alkyl, aryl, heteroaryl and alkenyl groups with substituents such as halogens or deuterium, alkyl groups, and further generally known donor and acceptor groups * indicates the atom which receives the complex bond; and # indicates the atom which mediates the bond with the second chemical unit.

  结构公式A表示具有发光性能的铜(I)配合物，其中： M为Cu(I)； L-B-L为中性的双齿配体； Z4-Z7包括N或片段CR，其中R为有机基团，选自包括氢、卤素或氘，或通过氧（—OR′″）、氮（—NR′″2）或磷原子（PR′″2）结合的基团，以及烷基、芳基、杂环芳基、烯基、炔基、三烷基硅基和三芳基硅基基团或取代烷基、芳基、杂环芳基和烯基基团，其取代基为卤素或氘或低烷基基团； X为CR′″2或NR′″； Y为O、S或NR′″； Z8包括片段CR′，其中R′=O*R′″、N*R′″2或P*R′″2，其中通过这些基团与Cu原子进行键合； R″为大体积取代基，抑制了复合物在激发态中向平面化方向的几何变化； R′″为有机基团，选自包括氢、卤素或氘，以及烷基、芳基、杂环芳基、烯基、炔基基团或取代烷基、芳基、杂环芳基和烯基基团，其取代基为卤素或氘、烷基等，以及其他一般已知的给体和受体基团； *表示接受配位键的原子；#表示介导与第二个化学单元之间的键合的原子。
• The Tunable Luminescence of Ruthenium(II) Complexes Containing Different Tetrazolate Ligands
  作者：Hong‐Rui Zhang、Yun‐Xia Zhang、Jing Xiang

  DOI：10.1002/zaac.201900286

  日期：2020.1.16

  (tz)‐containing ligands L1–L3. All the compounds were well characterized by IR, UV/Vis, and 1H NMR and their redox properties were also investigated by cyclic voltammogram. The crystal structure of 3 was determined by X‐ray crystallography and it clearly shows that the RuII ion is octahedrally coordinated by two bpy ligands and a deprotonated L3 ligand. After introduction of these tz ligands, 1–3 are

  三种发光的单核Ru II化合物，[Ru II（bpy）2（L 1）]（BF 4）（1），[Ru II（bpy）2（L 2）]（BF 4）（2）和中性通过用含四唑酸盐（tz）的配体L 1 - L 3处理[Ru II（bpy）2 Cl 2 ] ，得到化合物[Ru II（bpy）2（L 3）]（3）。所有化合物都通过IR，UV / Vis和1 H NMR进行了很好的表征，还通过循环伏安图研究了它们的氧化还原特性。X射线晶体学测定3的晶体结构，它清楚地表明Ru II离子由两个bpy配体和一个去质子化的L 3配体八面体配位。引入这些TZ配体后，1 - 3作为与相比是向溶剂的微环境的变化更敏感的[Ru II（BPY）3 ] 2+。这种作用在3中最为明显，因为它含有2 –配体L 3。二亚胺配体的轻微修饰使这些配合物具有潜在的传感器应用前景。
• KUPFER (I) KOMPLEXE FÜR OPTO-ELEKTRONISCHE VORRICHTUNGEN
  申请人：cynora GmbH

  公开号：EP2729477B1

  公开（公告）日：2016-01-20
• COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES
  申请人：Baumann Thomas

  公开号：US20140235006A1

  公开（公告）日：2014-08-21

  Copper(I) complexes for the emission of light with a structure according to formula A: wherein: M is Cu(I); L-B-L: a neutral, bidentate ligand, Z4-Z7: includes N or the fragment CR, with R=organic group, selected from the group consisting of: hydrogen, halogen or deuterium or groups which are bound via oxygen (—OR′″), nitrogen (—NR′″ 2 ), or phosphorous atoms (PR′″ 2 ) as well as alkyl, aryl, heteroaryl, alkenyl, alkinyl, trialkylsilyl and triarylsilyl groups or substituted alkyl, aryl, heteroaryl and alkenyl groups with substituents such as halogens or deuterium or lower alkyl groups; X is either CR′″ 2 or NR′″; Y is either O, S or NR′″; Z8 includes the fragment CR′, with R′═O*R′″, N*R′″ 2 or P*R′″ 2 , wherein the bond to the Cu atom is carried out via these groups; R″ is a sterically demanding substituent, which inhibits a change in geometry in direction to planarization of the complex in excited state, R′″=organic group which is selected from the group consisting of: hydrogen, halogen or deuterium, as well as alkyl, aryl, heteroaryl, alkenyl, alkinyl groups or substituted alkyl, aryl, heteroaryl and alkenyl groups with substituents such as halogens or deuterium, alkyl groups, and further generally known donor and acceptor groups * indicates the atom which receives the complex bond; and # indicates the atom which mediates the bond with the second chemical unit.