7-methoxy-3-(thiophen-3-yl)coumarin | 1296150-47-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-methoxy-3-(thiophen-3-yl)coumarin
• 英文别名: 7-methoxy-3-thiophen-3-ylchromen-2-one
• CAS: 1296150-47-4
• 化学式: C₁₄H₁₀O₃S
• 分子量: 258.298
• InChiKey: WAJKAWOYYMLWNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  63.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 4.0h， 生成 7-methoxy-3-(thiophen-3-yl)coumarin
  参考文献：
  名称：

  Synthesis, human monoamine oxidase inhibitory activity and molecular docking studies of 3-heteroarylcoumarin derivatives

  摘要：

  Monoamine oxidase (MAO) is an important drug target for the treatment of neurological disorders. Series of 3-indolyl and 3-thiophenylcoumarins were synthesized and evaluated as inhibitors of the two human MAO isoforms, hMAO-A and hMAO-B. In general, the derivatives were found to be selective hMAO-B inhibitors with IC(50) values in the nanoMolar (nM) to microMolar (mu M) range. Docking experiments were carried out in order to compare the theoretical and experimental affinity of these compounds to the hMAO-B protein. According to our results, docking experiments could be an interesting approach to try to predict the activity of this class of coumarins against MAO-B receptors. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.01.033

文献信息

• [EN] ETHYNYL CONTAINING ELECTRON TRANSPORT AGENTS AND THEIR USE IN ORGANIC LUMINESCENT DEVICES<br/>[FR] AGENTS DE TRANSPORT D'ELECTRONS CONTENANT DE L'ETHYNYL ET LEUR UTILISATION DANS DES DISPOSITIFS LUMINESCENTS ORGANIQUES
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2004096783A1

  公开（公告）日：2004-11-11

  Compounds of formula (I), compositions, organic electronic devices, and methods for preparing organic electronic devices are described. The compounds of the invention contain at least two carbon-carbon triple bonds and a heteroaromatic ring E having at least one -C=N unit. The compounds can be used as electron transport agents in organic electronic devices such as organic electroluminescent devices.

  描述了式（I）的化合物、组合物、有机电子器件以及制备有机电子器件的方法。该发明的化合物至少含有两个碳-碳三键和一个具有至少一个-C=N基团的杂芳环E。这些化合物可用作有机电子器件中的电子传输剂，如有机电致发光器件。
• Electron transport agents for organic electronic devices
  申请人：3M Innovative Properties Company

  公开号：US20040214036A1

  公开（公告）日：2004-10-28

  Compounds and compositions are provided that can be used as electron transport agents in organic electronic devices such as organic electroluminescent devices. The compounds are non-polymeric and have an aromatic core conjugated to end capping groups. The aromatic core contains a phenylene group arylene or naphthalene group arylene having a pendant heteroaryl group that includes a —C═N— unit.

  提供了可用作有机电子器件（如有机电致发光器件）中电子传输剂的化合物和组合物。这些化合物不是聚合物，具有芳香性核心，与端基团共轭。芳香性核心包含一个苯基团芳基或萘基团芳基，具有包括一个—C═N—单元的侧链杂环基团。
• Ethynyl containing electron transport dyes and compositions
  申请人：——

  公开号：US20040214037A1

  公开（公告）日：2004-10-28

  Compounds, compositions, organic electronic devices, and methods for preparing organic electronic devices are described. The compounds of the invention contain at least two carbon-carbon triple bonds and a heteroaromatic ring having at least one —C═N— unit. The compounds can be used as electron transport agents in organic electronic devices such as organic electroluminescent devices.

  本发明涉及化合物、组合物、有机电子器件以及制备有机电子器件的方法。该发明的化合物含有至少两个碳-碳三重键和一个含有至少一个-C═N-单元的杂环芳香环。这些化合物可用作有机电子器件中的电子输运剂，如有机电致发光器件。
• ELECTROACTIVE POLYMERS
  申请人：Roberts R. Ralph

  公开号：US20060155106A1

  公开（公告）日：2006-07-13

  Electroactive polymeric arylenes and intermediates useful for making such polymers are disclosed. The present invention also provides electroactive compositions comprising the electroactive polymeric arylenes, organic electronic devices which comprise these polymers and compositions, and methods of fabricating these devices.

  本发明公开了用于制备电活性聚合物芳基化合物和中间体。本发明还提供了包括所述电活性聚合物芳基化合物的电活性组合物，包括这些聚合物和组合物的有机电子器件，以及制造这些器件的方法。
• Organic electroluminescent compositions
  申请人：——

  公开号：US20040062947A1

  公开（公告）日：2004-04-01

  Organic electroluminescent compositions comprise (a) a charge transport matrix comprising at least one electron transport material; (b) at least one non-polymeric emissive dopant; and (c) at least one tertiary aromatic amine selected from the group consisting of (1) tertiary aromatic amines wherein at least one of the organic groups comprises a substituted phenyl group having an electron-donating substituent in the para-position or two independently selected electron-donating substituents in the meta-positions, (2) tertiary aromatic amines wherein at least two of the organic groups each comprise an independently selected substituted biphenyl or substituted fluorenyl group having an electron-donating substituent in the para-position of its terminal phenyl ring, and (3) tertiary aromatic amines wherein at least one of the organic groups comprises a fused polyaromatic group and at least one other organic group comprises a substituted biphenyl or substituted fluorenyl group having an electron-donating substituent in the para-position of its terminal phenyl ring.

  有机电致发光组分包括（a）至少包括一种电子传输材料的电荷传输基质；（b）至少一种非聚合发射掺杂剂；以及（c）至少一种从以下组中选择的三级芳香胺：（1）三级芳香胺，其中至少一个有机基团包括一个带有电子供体取代基的取代苯基在对位，或者两个独立选择的电子供体取代基在间位；（2）三级芳香胺，其中至少两个有机基团各自包括一个独立选择的带有电子供体取代基的取代联苯或取代芴基在其末端苯环的对位；以及（3）三级芳香胺，其中至少一个有机基团包括一个融合的多芳香基团，至少另一个有机基团包括一个独立选择的带有电子供体取代基的取代联苯或取代芴基在其末端苯环的对位。