2,4,5-trimethylbiphenyl | 91363-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4,5-trimethylbiphenyl
• 英文别名: 1,2,4-Trimethyl-5-phenylbenzene
• CAS: 91363-45-0
• 化学式: C₁₅H₁₆
• 分子量: 196.292
• InChiKey: BDMQUCUOFJFKAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2,4,5-trimethyl-1-cyclohexylbenzene 生成 2,4,5-trimethylbiphenyl
  参考文献：
  名称：

  MIGACHEV, G. I.;TERENTEV, A. M.;KOSHEL, G. N., POLIAMID. KONSTRUKTS. MATERIALY, MOSKVA, 1986, 72-81

  摘要：

  DOI：

文献信息

• EC-Backward-E Electrochemistry in Radical Cation Diels-Alder Reactions
  作者：Kaii Nakayama、Hidehiro Kamiya、Yohei Okada

  DOI：10.1149/1945-7111/abb97f

  日期：2020.12.1

  processes, including electron transfer (E), chemical reaction (C), and backward electron transfer (E), are known as EC-backward-E mechanisms; however, they are rarely observed directly. Herein, we demonstrate that direct observation of EC-backward-E processes in radical cation Diels-Alder reactions is possible using cyclic voltammetry measurements. Formal expressions for the plausible reaction mechanisms provide

  级联过程包括电子转移（E），化学反应（C）和向后电子转移（E），被称为EC向后E机制。但是，很少直接观察到它们。在本文中，我们证明使用循环伏安法测量可以直接观察自由基阳离子Diels-Alder反应中EC向后E的过程。合理的反应机理的形式表达式提供了对过程的合理理解，这也得到密度函数理论计算得出的最高占据分子轨道和自旋密度分布的支持。
• PEPPSI‐Effect on Suzuki–Miyaura Reactions Using 4,5‐Dicyano‐1,3‐dimesitylimidazol‐2‐ylidene‐Palladium Complexes: A Comparison between <i>trans</i> ‐Ligands
  作者：Heiko Baier、Alexandra Kelling、Hans‐Jürgen Holdt

  DOI：10.1002/ejic.201500010

  日期：2015.4

  Precatalyst Preparation, Stabilization and Initiation) complexes 12-15 with the structure [PdCl2(CN)(2)IMes}(3-R-py)] (12: R = H; 13: R = Cl; 14: R = Br; 15: R = CN) bearing the maleonitrile-based N-heterocyclic carbene (NHC) (CN)(2)IMes ((CN)(2)IMes}: 4,5-dicyano-1,3-dimesitylimidazol-2-ylidene) were prepared. Solid state structures of 14 and 15 were obtained. Complexes 14 and 15 adopt a slightly

  PEPPSI（吡啶增强的预催化剂制备、稳定化和引发）配合物 12-15 具有结构 [PdCl2(CN)(2)IMes}(3-R-py)] (12: R = H; 13: R = Cl ; 14: R = Br; 15: R = CN) 带有基于马来腈的 N-杂环卡宾 (NHC) (CN)(2)IMes ((CN)(2)IMes}: 4,5-dicyano-1 ,3-二甲基咪唑-2-亚基)。获得了14和15的固态结构。配合物 14 和 15 在固态下采用略微扭曲的方形平面配位几何形状，取代的吡啶配体转移到 NHC。研究了前催化剂 12-15 的催化活性，随后与复合物 [PdCl2(CN)(2)IMes}(PPh3)] (4) 和 [PdCl(dmba)(CN)(2)IMes}] (5 ) 最近由我们小组在各种芳基卤化物和苯基硼酸的 Suzuki-Miyaura 反应中报道。使用先前报道的
• Palladium-Catalyzed Arylation of Simple Arenes with Iodonium Salts
  作者：Thomas E. Storr、Michael F. Greaney

  DOI：10.1021/ol400412z

  日期：2013.3.15

  The development of an arylation protocol for simple arenes with diaryliodonium salts using the Herrmann-Beller palladacycle catalyst is reported. The reaction takes simple aromatic feedstocks and creates valuable biaryls for use in all sectors of the chemical industry.
• Palladium‐Catalyzed Suzuki–Miyaura Cross‐Coupling of Various Aryl Halides Using <i>ortho</i> ‐Alkyl‐Substituted Arylphosphanes and ( <i>ortho</i> ‐Alkylphenyl)alkylphosphanes under Microwave Heating
  作者：Sauli Vuoti、Juho Autio、Minna Laitila、Matti Haukka、Jouni Pursiainen

  DOI：10.1002/ejic.200700705

  日期：2008.1

  AbstractMono‐ and dinuclear palladium(II) chloride complexes of various ortho‐alkyl‐substituted aryl‐ and alkylphosphanes were prepared. Subsequently, these were characterized by 1H NMR and 31P1H} NMR spectroscopy, X‐ray crystallographic studies and mass spectroscopy. The palladium complexes were screened as potential catalysts for the microwave‐assisted Suzuki–Miyaura coupling reaction of several aryl halides under aerobic conditions. A preliminary study showed that excellent results can be obtained even for electron‐rich bromides and unactivated aryl chlorides with an optimized solvent, base and catalyst loading using specific phosphane ligands. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
• YAMAZAKI Y.; KAWAI T.; YAGISHITA A., J. JAP. PETROL. INST., 1978, 21, NO 4, 229-236
  作者：YAMAZAKI Y.、 KAWAI T.、 YAGISHITA A.

  DOI：——

  日期：——