3-(3,5-二甲基苯基)苯甲腈 | 713079-19-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3,5-二甲基苯基)苯甲腈
• 英文名称: 3-carbonitrile-3',5'-dimethyl-1,1'-biphenyl
• 英文别名: 3-(3,5-Dimethylphenyl)benzonitrile
• CAS: 713079-19-7
• 化学式: C₁₅H₁₃N
• 分子量: 207.275
• InChiKey: QBYQOHMDGQMIQB-UHFFFAOYSA-N

物化性质

• 沸点：
  339.5±21.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090

SDS

3-(3,5-dimethylphenyl)benzonitrileMSDS英文版

反应信息

• 作为产物：
  描述：

  间溴苯甲腈 、 3,5-二甲基苯硼酸 在 1,2-bis(2'-pyrazineethynyl)benzene palladium dichloride sodium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 6.0h， 以86%的产率得到3-(3,5-二甲基苯基)苯甲腈
  参考文献：
  名称：

  1,2-双(2'-吡嗪乙炔基)苯二氯化钯(II)的合成与表征及其对Suzuki偶联反应的催化作用

  摘要：

  摘要 我们报道了一种新的钯配合物 1,2-双（2'-吡嗪乙炔基）苯二氯化钯 (II) 的合成和表征，以及该配合物对 Suzuki 偶联反应的催化作用。

  DOI：

  10.1081/scc-120030701

文献信息

• The site-selectivity and mechanism of Pd-catalyzed C(sp²)–H arylation of simple arenes
  作者：Daeun Kim、Geunho Choi、Weonjeong Kim、Dongwook Kim、Youn K. Kang、Soon Hyeok Hong

  DOI：10.1039/d0sc05414c

  日期：——

  functionalization reactions in organic synthesis. Despite the seminal breakthrough of the Pd-catalyzed C(sp2)–H arylation of simple arenes via a concerted metalation–deprotonation (CMD) pathway in 2006, understanding the site-selectivity of the reaction still remains elusive. Here, we have comprehensively investigated the scope, site-selectivity, and mechanism of the Pd-catalyzed direct C–H arylation reaction of

  对于有机合成中催化C–H官能化反应的实际应用，位点选择性的控制是一个关键挑战。尽管2006年通过协同的金属化-去质子化（CMD）途径，钯催化了简单的芳烃的C（sp 2）-H芳基化的开创性突破，但仍不清楚该反应的位点选择性。在这里，我们全面研究了Pd催化的简单芳烃直接C–H芳基化反应的范围，位点选择性和机理。与直觉相反，富含电子的芳烃优选进行间芳基化而无需专门设计的导向基团，而带有氟或氰基的缺电子芳烃表现出高邻位带有大量吸电子基团的选择性和缺电子的芳烃有利于间位产物。通过动力学测量和使用芳基钯配合物的化学计量实验相结合的综合机械研究表明，基于Pd的催化体系通过协同双金属机理起作用，而不是最初提出的单金属CMD机理，无论是否存在强配位的L型配体。特别地，建议将受钾阳离子影响的金属转移步骤作为选择性确定步骤。
• Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element
  申请人：UDC Ireland Limited

  公开号：US11171293B2

  公开（公告）日：2021-11-09

  This application relates, in part, to an organic electroluminescent element including a substrate, a pair of electrodes including an anode and a cathode, disposed on the substrate, and at least one organic layer including a light emitting layer, disposed between the electrodes, in which at least one layer of the organic layer(s) contains a compound represented by the following formula (1). The organic electroluminescent element has low driving voltage and excellent durability. wherein X1 to X11 represent CR0 or N, and R0 represents a hydrogen atom or a substituent. Adjacent two of X1 to X11 each independently represent at least CR0, R0s of the adjacent two CR0s are bonded to each other to form a ring, and only one R0 of the adjacent two CR0s represents an aryl group or a heteroaryl group.

  本申请部分涉及一种有机电致发光元件，包括基板、设置在基板上的一对电极（包括阳极和阴极）以及设置在电极之间的至少一层有机层（包括发光层），其中至少一层有机层含有下式（1）表示的化合物。有机电致发光元件具有低驱动电压和出色的耐用性。 其中 X1 至 X11 代表 CR0 或 N，R0 代表氢原子或取代基。X1 至 X11 的相邻两个各自独立地至少代表 CR0，相邻两个 CR0 的 R0 相互键合形成环，且相邻两个 CR0 中只有一个 R0 代表芳基或杂芳基。
• Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element
  申请人：Yamamoto Yosuke

  公开号：US20140319507A1

  公开（公告）日：2014-10-30

  This application relates, in part, to an organic electroluminescent element including a substrate, a pair of electrodes including an anode and a cathode, disposed on the substrate, and at least one organic layer including a light emitting layer, disposed between the electrodes, in which at least one layer of the organic layer(s) contains a compound represented by the following formula (1). The organic electroluminescent element has low driving voltage and excellent durability. wherein X 1 to X 11 represent CR 0 or N, and R 0 represents a hydrogen atom or a substituent. Adjacent two of X 1 to X 11 each independently represent at least CR 0 , R 0 s of the adjacent two CR 0 s are bonded to each other to form a ring, and only one R 0 of the adjacent two CR 0 s represents an aryl group or a heteroaryl group.
• Synthesis and Characterization of 1,2‐<i>bis</i>(2′‐Pyrazineethynyl) Benzene Palladium(II) Dichloride and Its Catalysis of the Suzuki Coupling Reaction
  作者：Nate Schultheiss、Charles L. Barnes、Eric Bosch

  DOI：10.1081/scc-120030701

  日期：2004.12.31

  Abstract We report the synthesis and characterization of a new palladium complex, 1,2‐bis(2′‐pyrazineethynyl)benzene palladium(II) dichloride, and the catalysis of the Suzuki coupling reaction with this complex.

  摘要 我们报道了一种新的钯配合物 1,2-双（2'-吡嗪乙炔基）苯二氯化钯 (II) 的合成和表征，以及该配合物对 Suzuki 偶联反应的催化作用。