4-(2-methylpyrimidin-5-yl)benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(2-methylpyrimidin-5-yl)benzonitrile
• 化学式: C₁₂H₉N₃
• 分子量: 195.224
• InChiKey: NCZPIXVXZQQVMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  sodium 2-methylpyrimidine-5-carboxylate 、 4-溴苯腈 在 copper(I) oxide 、 四(三苯基膦)钯 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 24.0h， 以52%的产率得到4-(2-methylpyrimidin-5-yl)benzonitrile
  参考文献：
  名称：

  钯催化嘧啶羧酸钠与（杂）芳基溴化物的脱羧交叉偶联

  摘要：

  描述了一种直接的方法，用于从容易获得的嘧啶-4-和嘧啶-5-羧酸酯上通过脱羧交叉偶联反应合成官能化的4-或5-（杂）芳基嘧啶。在Pd（PPh 3）4 / Cu 2 O的双催化剂体系存在下，反应平稳进行，可以耐受各种官能团，并易于合成不同的（杂）芳基嘧啶化合物。

  DOI：

  10.1016/j.tetlet.2017.05.086

文献信息

• COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME
  申请人：SHANGHAI NICHEM FINE CHEMICAL CO., LTD.

  公开号：US20200274070A1

  公开（公告）日：2020-08-27

  Provided are a novel compound and an organic electronic device using the same. The novel compound is represented by the following Formula (I): wherein *b is bonded to one of *a1 and a2*, and *c is bonded to the other of *a1 and a2*; L 1 to L 2 are each independently an arylene group having 6 to 60 ring carbon atoms; Y 1 is selected from the group consisting of: a hydrogen atom, a deuterium atom, an alkyl group having 1 to 12 carbon atoms, and an aryl group having 6 to 30 ring carbon atoms; and m1 to m2 are each independently an integer 0 or 1.

  提供了一种新型化合物和使用该化合物的有机电子器件。该新型化合物由以下式（I）表示：其中*b与*a1和a2*中的一个结合，*c与*a1和a2*中的另一个结合；L1到L2分别独立地是具有6到60个环状碳原子的芳基基团；Y1从以下组成的组中选择：氢原子、氘原子、具有1到12个碳原子的烷基基团和具有6到30个环状碳原子的芳基基团；m1到m2分别独立地是整数0或1。
• Piperazine derivates and their use for the treatment of neurological and psychiatric diseases
  申请人：Bruton Gordon

  公开号：US20070054917A1

  公开（公告）日：2007-03-08

  The present invention relates to novel piperidine carbonyl piperazine derivatives having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.

  本发明涉及具有药理活性的新型哌啶羰基哌嗪衍生物，其制备方法，包含它们的组合物以及它们在神经系统和精神疾病治疗中的应用。
• Diphenylimidazole-fused, spirally configured cis-stilbene/fluorene hybrid compounds and organic light emitting device comprising the same
  申请人：NICHEM FINE TECHNOLOGY CO., LTD.

  公开号：US10186667B2

  公开（公告）日：2019-01-22

  The present invention provides a series of diphenylimidazole-fused, spirally configured cis-stilbene/fluorene hybrid compounds and an optoelectronic device comprising the same. The diphenylimidazole-fused, spirally configured cis-stilbene/fluorene hybrid compound bearing cyanoaryl and cyanoheteroaryl substituents, and have glass transition temperatures ranged from 154° C. to 194° C., decomposition temperatures ranged from 426° C. to 443° C., reversible electron transport property, and balanced charges motilities. In addition, a variety of experimental data have proved that these diphenylimidazole-fused, spirally configured cis-stilbene/fluorene hybrid materials can indeed be used as a hole-blocking type electron-transporter for phosphorescent OLEDs.

  本发明提供了一系列二苯基咪唑融合、螺旋状构型的顺式链烯/芴杂化物以及由其组成的光电器件。这些二苯基咪唑融合、螺旋构型的顺式二苯乙烯/芴杂化物具有氰基芳基和氰基杂芳基取代基，玻璃化温度为 154°C 至 194°C，分解温度为 426°C 至 443°C，具有可逆电子传输特性和平衡电荷运动特性。此外，各种实验数据证明，这些二苯基咪唑融合、螺旋配置的顺式链烯/芴杂化材料确实可用作磷光 OLED 的空穴阻滞型电子传输器。
• Spirally configured cis-stilbene/fluorene hybrid compounds and organic light emitting device comprising the same
  申请人：NICHEM FINE TECHNOLOGY CO., LTD.

  公开号：US10193083B2

  公开（公告）日：2019-01-29

  The present invention provides a series of spirally configured cis-stilbene/fluorene hybrid compounds and an optoelectronic device comprising the same. The compound comprises a seven-membered ring portion. The seven-membered ring portion is composed of a cis-stilbene fragment, and a tetrahedral coordination bridging atom fragment, wherein the cis-stilbene fragment has at least one substituent, the substituent is independently a substituted or unsubstituted triazine group, pyrimidine group or phenyl group. The compounds have glass transition temperatures ranged from 156° C. to 202° C., decomposition temperatures ranged from 419° C. to 509° C., reversible electron transport property, and balanced charges motilities. In addition, a variety of experimental data have proved that these spirally configured cis-stilbene/fluorene hybrid materials can indeed be used as a hole-blocking type electron-transporter for phosphorescent OLEDs.

  本发明提供了一系列螺旋状配置的顺式二苯乙烯/芴杂化化合物以及由其组成的光电器件。该化合物包括一个七元环部分。七元环部分由顺式二苯乙烯片段和四面体配位桥原子片段组成，其中顺式二苯乙烯片段具有至少一个取代基，取代基独立地为取代或未取代的三嗪基、嘧啶基或苯基。这些化合物的玻璃化温度在 156 摄氏度到 202 摄氏度之间，分解温度在 419 摄氏度到 509 摄氏度之间，具有可逆电子传输特性和平衡电荷运动特性。此外，各种实验数据证明，这些螺旋构型的顺式二苯乙烯/芴杂化材料确实可用作磷光 OLED 的空穴阻滞型电子传输器。
• Compound and organic electronic device using the same
  申请人：NICHEM FINE TECHNOLOGY CO., LTD.

  公开号：US10312459B2

  公开（公告）日：2019-06-04

  Provided are a novel compound and an organic electronic device using the same. The novel compound is represented by the following Formula (I):

  本文提供了一种新型化合物和使用该化合物的有机电子设备。该新型化合物由下式（I）表示：