香豆素175 | 29197-94-2

• 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
• 中文名称: 香豆素175
• 中文别名: [(4-甲基-2-氧代苯并吡喃-7-基)氨基]甲烷磺酸钠
• 英文名称: Coumarin175
• CAS: 29197-94-2
• 化学式: C11H11NNaO5S
• 分子量: 292.27
• InChiKey: JDPDVEXONMDODL-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R36/37/38,R20/21/22
• 安全说明：
  S26,S37/39

文献信息

• [EN] COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES<br/>[FR] COMPOSÉS PRÉSENTANT DES PROPRIÉTÉS ÉLECTROLUMINESCENTES OU DE TRANSPORT DES ÉLECTRONS
  申请人：MERCK PATENT GMBH

  公开号：WO2009112854A1

  公开（公告）日：2009-09-17

  A compound of the formula R1 (CR3 =CR4 ) nAr(CR4 =CR3 ) nR2 wherein: n is 0 or 1; Ar represents aryl or heteroaryl having 1-5 aromatic rings which may be chain or fused or a combination of chain and fused, which may be substituted withalkoxy, fluoro, fluoroalkyl or cyano and which in the case of a 5-memnered ring nitrogen heteroatom may be N-substituted with aryl or substituted aryl optionally further substituted with alkoxy, fluoro, fluoroalkyl or cyano; R1 and R2 independently represent aryl or nitrogen, oxygen or sulphur-containing heteroaryl having two to four fused aromatic rings one of which may be 5-membered and optionally substituted by aryl or heteroaryl having 1-5 chain or fused aromatic rings which may be further substituted withalkoxy, fluoro, fluoroalkyl or cyano; and R3 and R4 independently represent hydrogen, methyl, ethyl or benzyl. Alsoprovided is a method of making a compound having electroluminescent and/or electroconductive properties, which comprises condensing an aromatic dialdehyde with a methyl-substituted heteroaryl compound having two to four fused rings which maybe unsubstituted ormay be further substituted by aryl or heteroaryl having from one to fouraromatic rings, said aryl or heteroaryl substituent or substituents optionally being substituted with one or more fluoro, fluoroalkyl orcyano substituents.The condensation may be carried out in acetic anhydride under reflux. The compounds may be incorporatede.g. as an electron transport layer into an optical light emitting diode,where embodiments can provide high electron mobility, low turn-on voltage and good lifetime,or into an electrostatic imaging member. Acompositionis provided comprising a compound as above and a second host or electron transport material and/or at leastone dopant.

  一个化合物的结构式为R1（CR3=CR4）nAr（CR4=CR3）nR2，其中：n为0或1；Ar代表含有1-5个芳香环的芳基或杂芳基，可以是链状的、融合的或链状和融合的组合，可以被烷氧基、氟、氟烷基或氰基取代，在5-成员环氮杂原子的情况下，可能被芳基或取代芳基N-取代，可选择地进一步取代为烷氧基、氟、氟烷基或氰基；R1和R2独立地代表含有两到四个融合芳香环的芳基或氮、氧或硫杂杂芳基，其中一个可能是5-成员的，并且可选择地被芳基或含有1-5个链状或融合芳香环的杂芳基取代，这些芳基或杂芳基可能进一步被烷氧基、氟、氟烷基或氰基取代；R3和R4独立地代表氢、甲基、乙基或苄基。还提供了一种制备具有电致发光和/或电导性能的化合物的方法，包括将芳香二醛与一种具有两到四个融合环的甲基取代的杂芳基化合物缩合，该化合物可能未取代或可能进一步被含有一到四个芳香环的芳基或杂芳基取代，所述芳基或杂芳基取代物可选择地被一个或多个氟、氟烷基或氰基取代。缩合可以在乙酸酐中回流进行。这些化合物可以被用作电子传输层，例如用于光电发光二极管，其中实施例可以提供高电子迁移率、低开启电压和良好的寿命，或用于静电成像成员。提供了一种组合物，包括上述化合物和第二宿主或电子传输材料和/或至少一个掺杂剂。
• [EN] COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE<br/>[FR] COMPOSÉS PRÉSENTANT DES PROPRIÉTÉS DE TRANSPORT D'ÉLECTRONS, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：MERCK PATENT GMBH

  公开号：WO2010020352A1

  公开（公告）日：2010-02-25

  The invention provides compounds having utility inter alia as electron transport materials in optical light emitting diodes (OLEDs) and of the formula (I), (Il) or (III). Embodiments of the compounds when incorporated as electron transport layers in OLEDs exhibit a greater current density for a given voltage than corresponding devices where the electron transport material is aluminium quinolate.

  该发明提供了作为光电发光二极管（OLEDs）中电子传输材料的化合物，具有公式（I）、（II）或（III）的用途。当这些化合物作为OLED中的电子传输层时，与电子传输材料为铝喹啉的相应器件相比，表现出给定电压下更大的电流密度。
• ELECTROLUMINESCENT DEVICES
  申请人：Kathirgamanathan Poopathy

  公开号：US20100025671A1

  公开（公告）日：2010-02-04

  The invention relates to an optical light emitting diode device having an electroluminescent layer and an electron transport layer, wherein the electron transport layer contains zirconium or hafnium quinolate for slowing loss of luminance at a given current density with increase of the time for which the device has been operative. The invention also relates to OLEDs, improved efficiency and/or lifetime is obtained by using zirconium or hafnium quino late as electron transport material.

  本发明涉及一种光电发光二极管装置，其具有电致发光层和电子传输层，其中电子传输层包含锆或铪醌酸盐，以减缓在给定电流密度下随着设备运行时间的增加而失去亮度的速度。本发明还涉及 OLED，通过使用锆或铪醌酸盐作为电子传输材料，可以获得改进的效率和/或寿命。
• PHENANTHROLINE COMPOUNDS AND ELECTROLUMINESCENT DEVICES USING THE SAME
  申请人：Kathirgamanathan Poopathy

  公开号：US20100060152A1

  公开（公告）日：2010-03-11

  In OLEDs, improved efficiency is obtained by using compounds of formula [Ar](CH═CH—R 1 ) n wherein n is an integer from 1 to 4 ; [Ar] is a polycyclic aromatic or heteroaromatic scaffold optionally substituted with one or more alkyl or alkoxy groups; and R 1 is a 5 -membered heteroaryl group optionally substituted with methyl, methoxy, aryl or heteroaryl, or is phenyl or naphthyl optionally substituted with methyl, methoxy, trifluoromethyl or cyano or is biphenyl or substituted biphenyl. The compounds are believed to be novel and can be made by condensing a compound of formula wherein [Ar] and n are as defined above with a compound of formula [Ar](CH 3 ) n R 1 CHO in the presence of an acid catalyst e.g. an anhydride of an organic acid.

  在OLED中，使用公式[Ar](CH═CH—R1)n的化合物可以获得更高的效率，其中n为1至4的整数；[Ar]是一个多环芳香族或杂芳族支架，可选地取代一个或多个烷基或烷氧基；R1是一个5-成员杂芳基团，可选地取代甲基，甲氧基，芳基或杂芳基，或是苯基或萘基，可选地取代甲基，甲氧基，三氟甲基或氰基，或是联苯或取代联苯。这些化合物被认为是新颖的，并且可以通过与公式[Ar](CH3)nR1CHO的化合物在酸催化剂的存在下缩合而制得，例如有机酸的无水酐。
• COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE
  申请人：Kathirgamanathan Poopathy

  公开号：US20110108819A1

  公开（公告）日：2011-05-12

  The invention provides new compounds of the formula I, II or III. These compounds can be used as electron transport materials in optical light emitting diodes (OLEDs). The compounds of the formula I, II and III are as follows:

  这项发明提供了公式I、II或III的新化合物。这些化合物可以作为光电发光二极管（OLEDs）中的电子传输材料。公式I、II和III的化合物如下：