2-methyl-2'-methylthiobiphenyl | 38351-01-8

• 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-methyl-2'-methylthiobiphenyl
• 英文别名: 2-Methyl-2'-(methylsulfanyl)-1,1'-biphenyl；1-methyl-2-(2-methylsulfanylphenyl)benzene
• CAS: 38351-01-8
• 化学式: C₁₄H₁₄S
• 分子量: 214.331
• InChiKey: ZMFHUJSPRVMDJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methyl-2'-methylthiobiphenyl 在 硫酸 、 双氧水 、 vanadia 作用下， 以 水 、 乙腈 为溶剂， 生成 1-methyldibenzothiophene
  参考文献：
  名称：

  Efficient Synthesis of Unsymmetrical Dibenzothiophenes by Acid-Mediated Intramolecular Cyclization of Biaryl Methyl Sulfoxides

  摘要：

  A convenient and high-yielding synthesis of unsymmetrical dibenzothiophenes has been achieved by an acid-mediated ring closure of the biphenyl ring having a sulfoxide substituent at the ortho position. Various functional groups are well tolerated in this methodology.

  DOI：

  10.1080/00397911.2010.525777
• 作为产物：
  描述：

  o-chlorophenyl isopropyl sulfide 在 六甲基磷酰三胺 、 sodium 作用下， 反应 2.25h， 生成 2-methyl-2'-methylthiobiphenyl
  参考文献：
  名称：

  Regiochemistry and stereochemistry of nickel-promoted, carbon-carbon bond-forming reactions of cyclic sulfur compounds

  摘要：

  DOI：

  10.1021/jo00220a029

文献信息

• Experimental and Computational Studies on the Directing Ability of Chalcogenoethers in Palladium‐Catalyzed Atroposelective C−H Olefination and Allylation
  作者：Gang Liao、Tao Zhang、Liang Jin、Bing‐Jie Wang、Cheng‐Kai Xu、Yu Lan、Yu Zhao、Bing‐Feng Shi

  DOI：10.1002/anie.202115221

  日期：2022.3

  of chalcogenoether motifs in Pd-catalyzed atroposelective C−H olefination and allylation are presented. The thioether motif was found to be a superior directing group compared to the corresponding ether (−OR) and selenoether in terms of reactivity and enantiocontrol. The selenoether unit (−SeMe) was used for the first time as a suitable directing group in asymmetric C−H activation.

  介绍了硫族醚基序在 Pd 催化的阻转选择性 C-H 烯化和烯丙基化中的导向能力的实验和计算研究。就反应性和对映体控制而言，发现硫醚基序与相应的醚（-OR）和硒醚相比是一个优越的导向基团。硒醚单元（-SeMe）首次被用作不对称 C-H 活化中的合适导向基团。
• Dibenzothiophenes and related compounds. III. Reactions of 10-substituted 9,9-dimethylthioxanthenium and 5-substituted dibenzothiophenium salts with organolithiums.
  作者：MIKIO HORI、TADASHI KATAOKA、HIROSHI SHIMIZU、MICHIHIRO MIYAGAKI

  DOI：10.1248/cpb.22.2004

  日期：——

  In order to elucidate the mechanism of the ligand-exchange reaction between sulfonium salt and organolithium, the reactions of organolithiums with 10-substituted 9, 9-dimethylthioxanthenium salts and dibenzothiophenium salts having a bulky group at 5-position have been carried out to get the results, as shown in Tables I and II. It has been proposed that the SN2 type mechanism is valid for the ligand exchange in the reactions described above.

  为了阐明锍盐与有机锂之间配体交换反应的机理，我们进行了有机锂与 10-取代的 9，9-二甲基硫代噻吩盐和 5-位有稠合基团的二苯并噻吩盐的反应，结果如表 I 和表 II 所示。有人提出，SN2 型机理适用于上述反应中的配体交换。
• Dibenzothiophenes and related compounds. V. Reactions of 5-substituted dibenzothiophenium salts with organometallic reagents.
  作者：MIKIO HORI、TADASHI KATAOKA、HIROSHI SHIMIZU、MICHIHIRO MIYAGAKI

  DOI：10.1248/cpb.22.2020

  日期：——

  In order to compare the mechanisms of reactions of sulfonium salts with organolithiums and Grignard reagents, the reactions between 5-substituted dibenzothiophenium salts and methyllithium, methylmagnesium halides, and phenylmagnesium halides have been investigated to get a large difference as shown in Tables I and II, respectively. The reactions of 5-substituted dibenzothiophenium salts with methyllithium gave ring-opening products (I) as main products in Table I, whereas the reactions of those with methylmagnesium iodide gave no I or only little. Instead, these reactions gave ringopening products (III) as main products in Table II. The mechanisms of the formation of the products of the runs in Table I and II have been explained as shown in Chart 2 and Chart 4, respectively.

  为了比较锍盐与有机锂和格氏试剂的反应机理，研究了 5-取代二苯并噻吩盐与甲基锂、甲基卤化镁和苯基卤化镁的反应，结果差异很大，分别如表 I 和表 II 所示。在表 I 中，5-取代二苯并噻吩盐与甲基锂的反应以开环产物（I）为主要产物，而与甲基碘化镁的反应则没有或只有少量的开环产物（I）。相反，这些反应产生的开环产物（III）是表 II 中的主要产物。表 I 和表 II 中运行产物的形成机理分别如图 2 和图 4 所示。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：EP3091024A1

  公开（公告）日：2016-11-09

  Imidazophenanthridine ligands and metal complexes are provided. The compounds exhibit improved stability through a linking substitution that links a nitrogen bonded carbon of an imidizole ring to a carbon on the adjacent fused aryl ring. The compounds may be used in organic light emitting devices, particularly as emissive dopants, providing devices with improved efficiency, stability, and manufacturing. In particular, the compounds provided herein may be used in blue devices having high efficiency.

  本研究提供了咪唑菲啶配体和金属配合物。 通过将咪唑环上的氮键碳与相邻融合芳基环上的碳连接起来的连接取代作用，这些化合物显示出更高的稳定性。 这些化合物可用于有机发光器件，特别是作为发光掺杂剂，从而提高器件的效率、稳定性和制造性能。 特别是，本文提供的化合物可用于具有高效率的蓝色器件中。
• ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：EP3828161A2

  公开（公告）日：2021-06-02

  An organic electroluminescence device of an embodiment includes a first electrode, a hole transport region disposed on the first electrode, an emission layer disposed on the hole transport region, an electron transport region disposed on the emission layer, and a second electrode disposed on the electron transport region, wherein the hole transport region includes a diamine compound represented by Formula 1, thereby showing high emission efficiency:

  一个实施例中的有机电致发光器件包括第一电极、设置在第一电极上的空穴传输区、设置在空穴传输区上的发射层、设置在发射层上的电子传输区以及设置在电子传输区上的第二电极，其中空穴传输区包括由式 1 表示的二胺化合物，从而显示出较高的发射效率：