benzo<1,2-b:3,4-b':6,5-b''>trithiophene | 122357-57-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: benzo<1,2-b:3,4-b':6,5-b''>trithiophene
• 英文别名: benzo[1,2-b:3,4-b':6,5-b'']trithiophene；3,8,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene
• CAS: 122357-57-7
• 化学式: C₁₂H₆S₃
• 分子量: 246.378
• InChiKey: RBFKZOKVFNBXTJ-UHFFFAOYSA-N

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：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzo<1,2-b:3,4-b':6,5-b''>trithiophene 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 以65%的产率得到2,5,8-tribromobenzo[1,2-b:3,4-b':6,5-b'']trithiophene
  参考文献：
  名称：

  异构性对苯并三噻吩基空穴传输材料的光电性能的影响

  摘要：

  近年来，用于光伏应用的无机-有机卤化铅钙钛矿的工程设计取得了重大进展。然而，由于掺杂剂引起的降解，使用相对昂贵的螺-OMeTAD作为空穴传输材料（HTM）提出了挑战。在此，我们介绍基于苯并三噻吩（BTT）异构体形式的两个新的三臂HTM和四臂HTM（BTT-4和BTT-5）。系统研究了异构现象对光学，电化学和光物理性质以及光伏性能的影响。使用BTT-4和BTT-5的钙钛矿太阳能电池（PSC）因为HTM在标准测量条件下分别显示出卓越的光能转换效率，分别为19.0％和18.2％。这些结果验证了容易获得的BTT杂芳族结构作为设计用于制备PSC的高效HTM的有价值的核心。

  DOI：

  10.1039/c7ta00997f
• 作为产物：
  描述：

  2-噻吩-2-基-3-噻吩-3-基噻吩 在 碘 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以23%的产率得到benzo<1,2-b:3,4-b':6,5-b''>trithiophene
  参考文献：
  名称：

  Photocyclization of terthiophenes

  摘要：

  DOI：

  10.1021/jo00278a039

文献信息

• HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I)
  申请人：Brown Christopher T.

  公开号：US20120001127A1

  公开（公告）日：2012-01-05

  A composition comprising: at least one compound comprising a hole transporting core, wherein the core is covalently bonded to a first arylamine group and also covalently bonded to a second arylamine group different from the first, and wherein the compound is covalently bonded to at least one intractability group, wherein the intractability group is covalently bonded to the hole transporting core, the first arylamine group, the second arylamine group, or a combination thereof, and wherein the compound has a molecular weight of about 5,000 g/mole or less. Blended mixtures of arylamine compounds, including fluorene core compounds, can provide good film formation and stability when coated onto hole injection layers. Solution processing of OLEDs is a particularly important application.

  一种组分，包括：至少一种包含传输空穴核的化合物，其中该核与第一芳胺基团和与第一芳胺基团不同的第二芳胺基团共价键合，且该化合物与至少一种难溶性基团共价键合，其中该难溶性基团与传输空穴核、第一芳胺基团、第二芳胺基团或其组合之一共价键合，且该化合物的分子量约为5,000克/摩尔或更低。芳胺化合物的混合物，包括芴核化合物，当涂覆到空穴注入层时，可以提供良好的膜形成和稳定性。 OLEDs的溶液处理是一个特别重要的应用。
• [EN] CHARGE TRANSPORTING MATERIAL FOR OPTOELECTRONIC AND/OR PHOTOELECTROCHEMICAL DEVICES<br/>[FR] MATÉRIAU DE TRANSPORT DE CHARGE POUR DISPOSITIFS OPTO-ÉLECTRONIQUES ET/OU PHOTO-ÉLECTROCHIMIQUES
  申请人：ECOLE POLYTECHNIQUE FED DE LAUSANNE (EPFL)

  公开号：WO2017098455A1

  公开（公告）日：2017-06-15

  The present invention relates to an optoelectronic and/or photoelectrochemical device comprising at least one organic-inorganic perovskite as sensitizer and at least one compound of formula (I) comprising one benzotrithiophene core Q, wherein each thiophene ring of said core is substituted by at least one heteroaromatic polycyclic system D being selected from a monocyclic system or a polycyclic system comprising fused aromatic rings or conjugated monocyclic aromatic rings comprising heteroatoms (O, S, Se and N) and being further substituted.

  本发明涉及一种光电子和/或光电化学器件，其包括至少一种有机-无机钙钛矿作为感光剂，以及至少一种具有式(I)的化合物，其中该化合物包含一个苯并三噻吩核心Q，所述核心的每个噻吩环均被至少一个异芳香多环系统D取代，所述系统D选自单环系统或包含融合芳香环或共轭单环芳香环的多环系统，所述多环系统含有杂原子（O、S、Se和N）并进一步被取代。
• [EN] TRIARYL- AND TRIHETEROARYL- BENZENE MONOMERS AND POLYMERS<br/>[FR] MONOMÈRES ET POLYMÈRES DE TRIARYL- ET TRIHÉTÉROARYL- BENZÈNES
  申请人：IMP INNOVATIONS LTD

  公开号：WO2012131084A1

  公开（公告）日：2012-10-04

  The invention relates to novel mono-, oligo- and polymeric compounds comprising substituted triaryl- and triheteroaryl benzene groups and their copolymers. The invention further relates to the methods of their synthesis, to organic semiconducting materials and blends, formulations and layers comprising them, and to electronic devices, like organic field effect transistors (OFETs) and organic photovoltaics (OPVs), comprising them.

  本发明涉及含有取代的三芳基和三杂芳基苯基基团及其共聚物的新型单体，寡聚体和聚合物。本发明还涉及它们的合成方法，有机半导体材料和混合物，配方和层，以及包含它们的电子设备，例如有机场效应晶体管（OFET）和有机光伏（OPV）。
• HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II)
  申请人：Brown Christopher T.

  公开号：US20120003790A1

  公开（公告）日：2012-01-05

  A composition comprising: at least one compound comprising a hole transporting core, wherein the core is covalently bonded to a first arylamine group and also covalently bonded to a second arylamine group different from the first, and wherein the compound is covalently bonded to at least one intractability group, wherein the intractability group is covalently bonded to the hole transporting core, the first arylamine group, the second arylamine group, or a combination thereof, and wherein the compound has a molecular weight of about 5,000 g/mole or less. Blended mixtures of arylamine compounds, including fluorene core compounds, can provide good film formation and stability when coated onto hole injection layers. Solution processing of OLEDs is a particularly important application.

  一种组合物，包括：至少一种包含空穴传输核的化合物，其中该核与第一芳胺基团共价键合，并且也与第二个与第一不同的芳胺基团共价键合，且该化合物与至少一个难处理性基团共价键合，其中该难处理性基团与空穴传输核、第一芳胺基团、第二芳胺基团或其中的组合物共价键合，且该化合物的分子量约为5,000 g/mol或更低。芳胺化合物的混合物，包括芴核化合物，可以在涂覆空穴注入层时提供良好的膜形成和稳定性。 OLED的溶液加工是一个特别重要的应用。
• NOVEL COMPOSITIONS, METHODS AND POLYMERS
  申请人：Brown Christopher T.

  公开号：US20110028644A1

  公开（公告）日：2011-02-03

  A composition comprising a homopolymer or a copolymer comprising bithiophene units for use in, for example, low band gap materials including uses in organic photovoltaic active layers. The band gap and other properties can be engineered by polymerization methods including selection of monomer structure and ratio of monomer components. In addition, a dimer adapted for making alternating copolymers further comprising one first monomer moiety comprising at least one bithiophene moiety compound covalently linked to one second monomer moiety comprising a different bithiophene moiety or at least one moiety that is not a bithiophene. The composition can be copolymerized to form an alternating copolymer that can be further processed to form a polymeric film used in a printed organic electronic device. A series of novel copolymers are designed that would allow fabrication of materials with tailor made electronic and/or mechanical properties that can be easily manipulated through molecules chemical structure and potentially result in long term stability under ambient conditions that can be advantageous for use in organic electronics (e.g., OPVs, OLEDs, OFETs). Improved methods are disclosed for making monomers comprising a benzo[2,1-b:3,4-b′]dithiophene moiety that are useful as electronics materials.

  该组成物包括一种由噻吩单元组成的同聚物或共聚物，例如，用于低带隙材料，包括在有机光伏活性层中使用。可以通过聚合方法，包括选择单体结构和单体组分的比例来设计带隙和其他性质。此外，还提供了一种二聚体，适用于制备交替共聚物，该二聚体进一步包括一个第一单体基团，包括至少一个噻吩基团化合物与一个第二单体基团共价连接，第二单体基团包括不同的噻吩基团或至少一个不是噻吩的基团。该组成物可以共聚合形成交替共聚物，进一步加工成用于印刷有机电子器件的聚合膜。设计了一系列新型共聚物，可允许制备具有定制电子和/或机械性能的材料，这些性能可以通过分子化学结构轻松操纵，并且在环境条件下具有长期稳定性，这对于有机电子学（例如，OPV、OLED、OFET）的使用非常有优势。还公开了用于制备含苯并[2,1-b:3,4-b′]噻吩基团的单体的改进方法，这些单体在电子材料中很有用。