2-methyl-4,5-diphenylpyridine

• 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: 2-methyl-4,5-diphenylpyridine
• 化学式: C₁₈H₁₅N
• 分子量: 245.324
• InChiKey: AGSHPTSEKOEPFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-oxo-1,2-diphenyl-pentane carbonitrile 在 platinum(IV) oxide palladium on activated charcoal 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 80.0~300.0 ℃ 、810.6 kPa 条件下， 反应 17.67h， 生成 2-methyl-4,5-diphenylpyridine
  参考文献：
  名称：

  2,5-二脱氢吡啶双自由基的化学：药物设计的计算、动力学和捕获研究

  摘要：

  对 2,5-二脱氢吡啶双自由基的综合计算、动力学和捕获研究发现，夺氢反应可通过质子化进行调节。在 C,N-二炔亚胺或氮杂烯二炔的热解中观察到少量吡啶产物，仅当反应在适量质子酸存在下发生时，与定性理论预测以及从头计算在CASSCF 和 CASMP2 级别。讨论了这些发现对更具选择性的抗肿瘤剂的影响。

  DOI：

  10.1021/ja9730223

文献信息

• <i>N</i>-Silylenamines as Reactive Intermediates: Hydroamination for the Modular Synthesis of Selectively Substituted Pyridines
  作者：Erica K. J. Lui、Daniel Hergesell、Laurel L. Schafer

  DOI：10.1021/acs.orglett.8b02703

  日期：2018.11.2

  modular and selective synthesis of mono-, di-, tri-, tetra-, and pentasubstituted pyridines is reported. Hydroamination of alkynes with N-silylamine using a bis(amidate)bis(amido)titanium(IV) precatalyst furnishes the regioselective formation of N-silylenamines. Addition of α,β-unsaturated carbonyls to the crude mixtures followed by oxidation affords 47 examples of pyridines in yields of up to 96%

  报道了单，二，三，四和五取代的吡啶的模块化和选择性合成。与炔烃的加氢胺化ñ使用双-silylamine（酰胺化）双（酰氨基）钛（IV）预催化剂配料的区域选择性形成Ñ -silylenamines。将α，β-不饱和羰基加到粗混合物中，然后氧化，得到47个吡啶实例，产率高达96％。该合成途径允许使用该一锅法方案合成包含可变取代模式的各种吡啶，包括药学上相关的2,4,5-三取代的吡啶。
• Organic electroluminescence device
  申请人：UDC Ireland

  公开号：US10454042B2

  公开（公告）日：2019-10-22

  An object of the present invention is to provide an organic electroluminescence device having excellent light emission efficiency and durability, in particular, durability when driving at a high temperature. Provided is an organic electroluminescence device including on a substrate a pair of electrodes, and at least one layer of an organic layer including a light emitting layer containing a light emitting material disposed between the electrodes, wherein the light emitting layer includes at least each one of specific indolocarbazole derivatives and specific condensed ring metal complexes.

  本发明的目的是提供一种有机电致发光器件，该器件具有优异的发光效率和耐用性，特别是在高温驱动时的耐用性。本发明提供了一种有机电致发光器件，包括在基底上的一对电极，以及至少一层有机层，该有机层包括设置在电极之间的包含发光材料的发光层，其中发光层包括特定吲哚咔唑衍生物和特定缩合环金属配合物中的至少一种。
• Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles
  作者：Masato Ohashi、Ippei Takeda、Masashi Ikawa、Sensuke Ogoshi

  DOI：10.1021/ja208162w

  日期：2011.11.16

  Pyridines, which comprise one of the most important classes of the six-membered heterocyclic compounds, are widely distributed in nature, and the transition-metal-catalyzed [2 + 2 + 2] cycloaddition reaction of two alkynes and a nitrile is one of the most powerful methods for preparing versatile, highly substituted pyridine derivatives. However, the lack of chemo- and regioselectivity is still a crucial issue associated with fully intermolecular [2 + 2 + 2] cycloaddition. The present study developed the Ni(0)-catalyzed intermolecular dehydrogenative [4 + 2] cycloaddition reaction of 1,3-butadienes with nitrites to give a variety of pyridines regioselectively.
• COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Nippon Steel Chemical Co., Ltd.

  公开号：EP1956022B1

  公开（公告）日：2012-07-25
• Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device
  申请人：Komori Masaki

  公开号：US20090302742A1

  公开（公告）日：2009-12-10

  Disclosed are an organic electroluminescent device (organic EL device) which is improved in luminous efficiency, fully secured of driving stability, and simple in constitution and a compound for use therein. The organic electroluminescent device comprises a light-emitting layer disposed between an anode and a cathode piled one upon another on a substrate and the light-emitting layer contains a phosphorescent dopant and a compound for use in an organic electroluminescent device having two or more indolocarbazole skeletons as a host material. An example of the compound having indolocarbazole skeletons for use in the device is expressed by the following formula.