氘代二苯并噻吩 | 33262-29-2

• 物质功能分类: 医药中间体 - 噻吩类化合物
• 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: 氘代二苯并噻吩
• 中文别名: 二苯并噻吩-D8
• 英文名称: dibenzothiophene-d8
• 英文别名: Dibenzothiophen-d8；1,2,3,4,6,7,8,9-octadeuteriodibenzothiophene
• CAS: 33262-29-2
• 化学式: C₁₂H₈S
• 分子量: 192.198
• InChiKey: IYYZUPMFVPLQIF-PGRXLJNUSA-N

物化性质

• 熔点：
  97-100 °C(lit.)
• 沸点：
  323-333 °C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36
• 危险类别码：
  R22
• WGK Germany：
  3

制备方法与用途

二苯并噻吩-d8是一种带有氘标记的二苯并吡啶衍生物。

反应信息

• 作为产物：
  描述：

  二苯并噻吩 在 乙酸-D3 、 palladium diacetate 、 6-(3-methyl-1H-pyrazol-1-yl)pyridin-2(1H)-one 作用下， 生成 氘代二苯并噻吩
  参考文献：
  名称：

  吡唑并吡啶酮配体实现芳烃的非定向 Pd 催化 C-H 全氘化和间位选择性烯基化

  摘要：

  配体的开发及其在催化循环中的作用的阐明是在非定向过渡金属催化的 C-H 功能化中实现高效率和选择性的关键。特别是，仔细的配体设计可以实现以前无法接近的底物位置的功能化，这可能导致常见反应物的区域发散转化。在这项研究中，开发了一系列可一步轻松制备的吡唑并吡啶酮 ( PzPyOH ) 配体，用于 Pd 催化的芳烃全氘化和间位选择性烯基化。在这个系统中，2-吡啶酮部分被合并以充当内部碱基，促进 C-H 裂解并使 C-H 激活可逆，即使在具有挑战性的 sp 2C-H 键，从而实现全氘化。此外，C-H 键的可逆激活意味着位点选择性是在烯基化反应的迁移插入步骤中确定的，因此优先功能化间位而不是通常更具反应性的邻位和对位-苯甲醚衍生物的位置。此外，吡唑部分的电子和结构特性为配体与 Pd 的结合提供了灵活性，使烯烃偶联伙伴在烯基化过程中能够轻松配位。在此过程中，吡啶酮和乙酸配体之间的氢键对于稳定中间体至关重要，允许不同类型的结合模式，包括

  DOI：

  10.1021/acscatal.2c06303

文献信息

• Preparative supercritical deuterium exchange in arenes and heteroarenes
  作者：Thomas Junk、W.James Catallo

  DOI：10.1016/0040-4039(96)00615-6

  日期：1996.5

  Deuterated homo- and heterocyclic aromatic substrates bearing various functionalities were prepared by isotope exchange in supercritical deuterium oxide, with little or no formation of byproducts. Equilibration was attained rapidly (1 – 24 hrs), and deuterium exchange extended to alpha positions of alkyl homologs. Nitro- and haloarenes, thioethers, telluroethers, and some heterocyclic substrates were

  通过在超临界氧化氘中进行同位素交换，制备了具有各种功能的氘化均杂环和杂环芳族底物，几乎没有副产物的形成。快速达到平衡（1 – 24小时），氘交换扩展至烷基同系物的α位。硝基和卤代芳烃，硫醚，碲醚和某些杂环底物不稳定。
• Organic electroluminescent materials and devices
  申请人：Universal Display Corporation

  公开号：US10361375B2

  公开（公告）日：2019-07-23

  A composition formed of a mixture of a first compound and a second compound wherein the first compound has a different chemical structure than the second compound. The first compound and the second compound are both organic compounds. At least one of the first compound and the second compound contains at least one less abundant stable isotope atom. The first compound has an evaporation temperature T1 and the second compound has an evaporation temperature T2 where both T1 and T2 are between 100 to 400 ° C. and the absolute value of T1-T2 is less than 20 ° C. The first compound has a concentration C1 in said mixture and a concentration C2 in a film formed by evaporating said mixture in a high vacuum deposition tool with a chamber base pressure between 1×10−6 Torr to 1×10−9 Torr, at a 2Å/sec deposition rate on a surface positioned at a predefined distance away from the mixture being evaporated; and wherein absolute value of (C1-C2)/C1 is less than 5%.

  一种由第一种化合物和第二种化合物混合物组成的组合物，其中第一种化合物的化学结构与第二种化合物不同。第一种化合物和第二种化合物都是有机化合物。第一种化合物和第二种化合物中至少有一种含有至少一种含量较少的稳定同位素原子。第一种化合物的蒸发温度为 T1，第二种化合物的蒸发温度为 T2，其中 T1 和 T2 均在 100 至 400 ° C 之间，且 T1-T2 的绝对值小于 20 ° C。第一种化合物在所述混合物中的浓度为 C1，在通过高真空沉积工具蒸发所述混合物而形成的薄膜中的浓度为 C2，该工具的腔体基础压力在 1×10-6 托至 1×10-9 托之间，以 2Å/sec 的沉积速率沉积在与被蒸发混合物保持预定距离的表面上；其中 (C1-C2)/C1 的绝对值小于 5%。
• AULICH, T. R.;HAWTHORNE, S. B.;MILLER, D. J.;FARNUM, S. A., ABSTR. PAP. PITTSBURGH CONF. AND EXPO. ANAL. CHEM. AND APPL. SPECTROSC., +
  作者：AULICH, T. R.、HAWTHORNE, S. B.、MILLER, D. J.、FARNUM, S. A.

  DOI：——

  日期：——
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20160099422A1

  公开（公告）日：2016-04-07

  A composition formed of a mixture of a first compound and a second compound wherein the first compound has a different chemical structure than the second compound. The first compound and the second compound are both organic compounds. At least one of the first compound and the second compound contains at least one less abundant stable isotope atom. The first compound has an evaporation temperature T 1 and the second compound has an evaporation temperature T 2 where both T 1 and T 2 are between 100 to 400° C. and the absolute value of T 1 −T 2 is less than 20° C. The first compound has a concentration C 1 in said mixture and a concentration C 2 in a film formed by evaporating said mixture in a high vacuum deposition tool with a chamber base pressure between 1×10 −6 Torr to 1×10 −9 Torr, at a 2 Å/sec deposition rate on a surface positioned at a predefined distance away from the mixture being evaporated; and wherein absolute value of (C 1 −C 2 )/C 1 is less than 5%.
• METHOD AND KIT FOR THE IDENTIFICATION OF COMPOUNDS IN AN ORGANIC MIXTURE
  申请人：TOTAL S.A.

  公开号：US20160153945A1

  公开（公告）日：2016-06-02

  The present disclosure relates to a method for constituting a collection of chromatograms of a reference mixture of organic compounds. The present disclosure also relates to a method for the identification of compounds in a sample of an organic mixture using a collection of chromatograms. A kit is also provided for the identification of at least one compound in a sample from an organic mixture. The method and kit belong to the field of analytical chemistry.