2,4-diiodoquinoline | 5652-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,4-diiodoquinoline
• 英文别名: 2,4-diiodo-quinoline
• CAS: 5652-11-9
• 化学式: C₉H₅I₂N
• 分子量: 380.954
• InChiKey: CXNSDJHUBUGWMO-UHFFFAOYSA-N

物化性质

• 熔点：
  90 °C
• 沸点：
  407.1±25.0 °C(Predicted)
• 密度：
  2.367±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4-diiodoquinoline 在 copper(l) iodide 、 sodium azide 、 三乙胺 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 12.0h， 生成 2,4-bis(4-pentyl-1H-1,2,3-triazol-1-yl)quinoline
  参考文献：
  名称：

  Solvent effect on copper-catalyzed azide–alkyne cycloaddition (CuAAC): Synthesis of novel triazolyl substituted quinolines as potential anticancer agents

  摘要：

  A regioselective route to novel mono triazolyl substituted quinolines has been developed via copper-catalyzed azide-alkyne cycloaddition (CuAAC) of 2,4-diazidoquinoline with terminal alkynes in DMF. The reaction provided bis triazolyl substituted quinolines when performed in water in the presence of Et3N. A number of the compounds synthesized showed promising anti-proliferative properties when tested in vitro especially against breast cancer cells. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.091
• 作为产物：
  描述：

  4-Bromo-2-chloroquinoline 在 trimethylstannylsodium 、 碘 作用下， 生成 2,4-diiodoquinoline
  参考文献：
  名称：

  Yamamoto, Yukata; Yanagi, Akihiko, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 5, p. 1731 - 1737

  摘要：

  DOI：

文献信息

• ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20190207118A1

  公开（公告）日：2019-07-04

  An organic light-emitting device includes: a first electrode; a second electrode facing the first electrode; and an organic layer between the first electrode and the second electrode and including an emission layer. The emission layer includes at least one doping layer and at least one non-doping layer. The doping layer comprises a first host, a second host, and a dopant.

  一种有机发光器件包括：第一电极；面向第一电极的第二电极；以及位于第一电极和第二电极之间的有机层，包括一个发射层。发射层包括至少一个掺杂层和至少一个非掺杂层。掺杂层包括第一主体、第二主体和掺杂剂。
• HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US20180019410A1

  公开（公告）日：2018-01-18

  A heterocyclic compound and an organic light-emitting device including the same are provided, the heterocyclic compound being represented by

  提供了一种杂环化合物和包括该化合物的有机发光器件，该杂环化合物由表示。
• HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME
  申请人：Samsung Display Co., Ltd.

  公开号：US20210139425A1

  公开（公告）日：2021-05-13

  An organic light-emitting device includes a heterocyclic compound represented by Formula 1 as a thermally activated delayed fluorescence dopant, where D 1 is a group represented by Formula 2 and Rw is selected from: —F, a cyano group, and a C 1 -C 20 alkyl group substituted with at least one —F:

  一种有机发光器件包括一种由式1表示的杂环化合物作为热激活延迟荧光掺杂剂，其中D1是由式2表示的基团，Rw选自：—F，氰基和至少一个—F取代的C1-C20烷基基团。
• Organic light-emitting device
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US11056664B2

  公开（公告）日：2021-07-06

  An organic light-emitting device includes a first electrode and a second electrode facing the first electrode. An organic layer is disposed between the first electrode and the second electrode. The organic layer includes an emission layer, a first compound and a second compound.

  一个有机发光器件包括一个第一电极和一个朝向第一电极的第二电极。有机层位于第一电极和第二电极之间。有机层包括一个发射层，一个第一化合物和一个第二化合物。
• Rewiring Chemistry: Algorithmic Discovery and Experimental Validation of One-Pot Reactions in the Network of Organic Chemistry
  作者：Chris M. Gothard、Siowling Soh、Nosheen A. Gothard、Bartlomiej Kowalczyk、Yanhu Wei、Bilge Baytekin、Bartosz A. Grzybowski

  DOI：10.1002/anie.201202155

  日期：2012.8.6

  Computational algorithms are used to identify sequences of reactions that can be performed in one pot. These predictions are based on over 86 000 chemical criteria by which the putative sequences are evaluated. The “raw” algorithmic output is then validated experimentally by performing multiple two‐, three‐, and even four‐step sequences. These sequences “rewire” synthetic pathways around popular and/or

  计算算法用于识别可以在一锅中进行的反应序列。这些预测是基于超过86000个化学标准来评估推定序列的。然后，通过执行多个两步，三步甚至四步序列，对“原始”算法的输出进行实验验证。这些序列围绕流行和/或重要的小分子“重新合成”合成途径。