3,6-二甲基二苯并噻吩 | 31613-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 3,6-二甲基二苯并噻吩
• 英文名称: 3,6-dimethyldibenzothiophene
• CAS: 31613-04-4
• 化学式: C₁₄H₁₂S
• 分子量: 212.315
• InChiKey: JTASASABTJTWTR-UHFFFAOYSA-N

物化性质

• 沸点：
  364.9±11.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)
• 保留指数：
  332.88;333.44

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  4,6-二甲基二苯并噻吩 在 tungsten phosphide 、 氢气 作用下， 以 萘烷 为溶剂， 240.0 ℃ 、4.0 MPa 条件下， 生成 3,6-二甲基二苯并噻吩
  参考文献：
  名称：

  Hydrodesulfurization of dibenzothiophene, 4,6-dimethyldibenzothiophene, and their hydrogenated intermediates over bulk tungsten phosphide

  摘要：

  The kinetics of the hydrodesulfurization (HDS) of dibenzothiophene (DBT), 4,6-dimethyldibenzothiophene (4,6-DMDBT), and their hydrogenated intermediates over bulk tungsten phosphide (WP) was studied. WP possessed high hydrogenation/dehydrogenation activity but was highly sensitive to piperidine inhibition. 4,6-DMDBT reacted faster than DBT, and both DBT and 4,6-DMDBT reacted mainly through the hydrogenation pathway. The methyl groups suppressed the direct desulfurization of 4,6-DMDBT but significantly promoted the hydrogenation of 4,6-DMDBT and the dehydrogenation of 1,2,3,4-tetrahydro-4,6-dimethyldibenzothiophene (TH-4,6-DMDBT) and 1,2,3,4,4a,9b-hexahydro-4,6-dimethyldibenzothiophene, but decreased the rate of hydrogenation of TH-4,6-DMDBT. Piperidine inhibited the HDS of 4,6-DMDBT much more strongly than that of DBT. Substantial dehydrogenation of TH-4,6-DMDBT to 4,6-DMDBT and two of its isomers occurred. The formation of these 4,6-DMDBT isomers in the dehydrogenation of TH-4,6-DMDBT and the hydrocracking of 1-methyl-4-(3-methylcyclohexyl)-benzene, as well as the formation of cyclopentylphenylmethane and (cyclopentylmethyl)cydohexane, is ascribed to the metallic character of WP. (C) 2015 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2015.07.019

文献信息

• HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES
  申请人：Merck Patent GmbH

  公开号：US20210363159A1

  公开（公告）日：2021-11-25

  The present invention relates to heterocyclic compounds, especially for use in electronic devices. The invention further relates to a process for preparing the compounds of the invention and to electronic devices comprising these.

  本发明涉及杂环化合物，特别是用于电子设备。该发明还涉及制备本发明化合物的方法以及包含这些化合物的电子设备。
• MATERIALS FOR ELECTRONIC DEVICES
  申请人：Merck Patent GmbH

  公开号：US20200283386A1

  公开（公告）日：2020-09-10

  The present application relates to compounds of formula (I), to processes for preparation thereof, and to the use thereof in electronic devices.

  本申请涉及式(I)化合物，涉及其制备方法，以及其在电子设备中的应用。
• [EN] SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES<br/>[FR] AMINES AROMATIQUES SUBSTITUÉES DESTINÉES À ÊTRE UTILISÉES DANS DES DISPOSITIFS ÉLECTROLUMINESCENTS ORGANIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2019115577A1

  公开（公告）日：2019-06-20

  The present application relates to a specific fluorene derivative, to its use in an electronic device and to an electronic device comprising said fluorene derivatives. Further, the present application relates to a process for the preparation of such fluorene compounds and to oligomers, polymers or dendrimers as well as formulations or compositions comprising one or more of said fluorene compounds.

  本申请涉及一种特定的芴衍生物，其在电子设备中的应用以及包括该芴衍生物的电子设备。此外，本申请涉及一种制备这种芴化合物的方法，以及寡聚体、聚合物或树枝状聚合物，以及包含一种或多种上述芴化合物的配方或组合物。
• Cyclization of 2-Biphenylthiols to Dibenzothiophenes under PdCl₂/DMSO Catalysis
  作者：Tao Zhang、Guigang Deng、Hanjie Li、Bingxin Liu、Qitao Tan、Bin Xu

  DOI：10.1021/acs.orglett.8b02347

  日期：2018.9.7

  A palladium-catalyzed synthesis of dibenzothiophenes from 2-biphenylthiols is described. This highly efficient reaction employs a simple PdCl2/DMSO catalytic system, in which PdCl2 is the sole metal catalyst and DMSO functions as an oxidant and solvent. This transformation has broad substrate scope and operational simplicity and proceeds in high yield. The synthetic utility was demonstrated by the

  描述了由2-联苯硫醇钯催化的二苯并噻吩的合成。该高效反应采用简单的PdCl 2 / DMSO催化系统，其中PdCl 2是唯一的金属催化剂，而DMSO充当氧化剂和溶剂。这种转化具有广泛的底物范围和操作简便性，并且产率高。螺旋二萘并噻吩3和著名的有机半导体DBTDT 4的合成很容易，证明了合成的实用性。重要的是，在这种催化体系下，观察到了高度紧张的三硫杂亚苏曼烯5，这是一种具有相当大的合成挑战性的巴克杯。
• Gallium Modified HUSY Zeolite as an Effective Co-support for NiMo Hydrodesulfurization Catalyst and the Catalyst's High Isomerization Selectivity
  作者：Wenwu Zhou、Yasong Zhou、Qiang Wei、Lin Du、Sijia Ding、Shujiao Jiang、Yanan Zhang、Qing Zhang

  DOI：10.1002/chem.201701307

  日期：2017.7.12

  NiMo/2GaY-ASA-A. The superior catalytic performance is related to the synergistic effect of the proper amount of medium and strong Brønsted acid sites. The compounds 3,6-DMDBT and 3,7-DMDBT (isomers of 4,6-DMDBT) and 3,4,6-TMDBT and tetra-methyl-DBT (transmethyl products) were detected simultaneously in the HDS product of 4,6-DMDBT for the first time over NiMo/GaY-ASA-A catalysts. Finally, a new reaction network

  已经研究了金属改性的酸性辅助载体对高耐性有机硫化合物（如4,6-二甲基二苯并噻吩）的加氢脱硫（HDS）活性和异构化选择性的影响。通过新型水热合成方法成功合成了具有高Si ​​/ Al比和小晶粒尺寸的Y沸石晶体。将合成的Y沸石晶体进行离子交换并使其稳定。然后使用浸渍方法将制备的样品用不同的镓含量进行改性，以调节其酸度性质，并将这些改性的样品用作NiMo硫化物HDS催化剂的辅助载体。含有10％（重量）沸石Y的催化剂（经2％（重量）镓改性）（NiMo / 2GaY-ASA-A）表现出最高的HDS活性，其中有4,6-二甲基二苯并噻吩（4，-1。NiMo / 2GaY-ASA-A还表现出优异的异构化能力，其主要产物为3,4'-DMBP，4,4'DMBP和3,6-DMDBT，表明异构化途径是NiMo上的主要反应途径。 / 2GaY-ASA-A。优异的催化性能与适量的中等布朗斯台德酸位点和强布朗斯台德酸