4,8-bis(3-ethylheptyl)benzo[1,2-b:4,5-b']dithiophene

• 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: 4,8-bis(3-ethylheptyl)benzo[1,2-b:4,5-b']dithiophene
• 英文别名: 4,8-Bis(3-ethylheptyl)thieno[2,3-f]benzothiophene；4,8-bis(3-ethylheptyl)thieno[2,3-f][1]benzothiole
• 化学式: C₂₈H₄₂S₂
• 分子量: 442.773
• InChiKey: HUYQLHVTWFWRNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  30
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,8-bis(3-ethylheptyl)benzo[1,2-b:4,5-b']dithiophene 在 叔丁基锂 、 1,1,2,2-四氟-1,2-二溴乙烷 作用下， 以 乙醚 、 正己烷 为溶剂， 以88%的产率得到2,6-dibromo-4,8-bis(3-ethylheptyl)benzo[1,2-b:4,5-b']dithiophene
  参考文献：
  名称：

  [EN] ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS
  [FR] POLYMÈRES ET DISPOSITIFS ORGANIQUES ÉLECTRIQUES, COMPRENANT DES CELLULES PHOTOVOLTAÏQUES ET DES POLYMÈRES À BASE DE DICÉTONE

  摘要：

  公开号：

  WO2011028827A3
• 作为产物：
  描述：

  4,8-bis(3-ethylhept-1-ynyl)thieno[2,3-f]benzothiophene 在 钯 氮气 作用下， 以 四氢呋喃 为溶剂， 生成 4,8-bis(3-ethylheptyl)benzo[1,2-b:4,5-b']dithiophene
  参考文献：
  名称：

  Hole transport compositions and related devices and methods (II)

  摘要：

  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，同时也与第二个与第一不同的芳胺基团共价键合，且该化合物共价键结合至少一个难处理基团，其中该难处理基团共价键结合至空穴传输核，第一芳胺基团，第二芳胺基团或其组合物，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，可以在涂覆到空穴注入层时提供良好的薄膜形成和稳定性。 OLED的溶液加工是一个特别重要的应用。

  公开号：

  US08535974B2

文献信息

• Hole transport materials including OLED applications
  申请人：Plextronics, Inc.

  公开号：US09112157B2

  公开（公告）日：2015-08-18

  The composition described here comprises at least one hole-transporting compound, wherein the hole-transporting compound comprises a core covalently bonded to at least two arylamine groups, wherein the arylamine group optionally comprises one or more intractability groups. The composition can provide good film formation and stability when coated onto hole injection layers. Solution processing of hole transporting layers of OLEDs can be achieved with the composition described here. Good mobility can be achieved.

  这里描述的组合物包括至少一种传输空穴化合物，其中传输空穴化合物包括与至少两个芳胺基团共价键合的核心，其中芳胺基团可选择包括一个或多个不溶性基团。当涂覆到空穴注入层上时，该组合物可以提供良好的膜形成和稳定性。可以通过溶液处理来实现OLED的传输空穴层，该组合物可以实现良好的迁移性。
• 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。
• ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS
  申请人：Brown Christopher T.

  公开号：US20110204341A1

  公开（公告）日：2011-08-25

  Polymers which can be used in p-type materials for organic electronic devices and photovoltaic cells. Compounds, monomers, dimers, trimers, and polymers comprising: Good photovoltaic efficiency and lifetime can be achieved. The R group can provide solubility, environmental stability, and fine tuning of spectroscopic and/or electronic properties. Different polymer microstructures can be prepared which encourage multiple band gaps and broad and strong absorptions. The carbonyl can interact with adjacent thiophene rings to provide backbone with rigidity, induce planarity, and reduce and/or eliminate intramolecular chain twisting defects. Polymers comprising benzodithiophene and/or benzothiadiazole structures can show particularly high performance.

  可以用于有机电子器件和光伏电池的p型材料的高分子。化合物，单体，二聚体，三聚体和聚合物包括：可以实现良好的光伏效率和寿命。R基团可以提供可溶性，环境稳定性和光谱和/或电子性质的微调。可以制备不同的高分子微结构，以鼓励多重带隙和广泛而强烈的吸收。羰基可以与相邻的噻吩环相互作用，提供具有刚性的骨架，诱导平面性，并减少和/或消除分子内链扭曲缺陷。包含苯并噻吩和/或苯并噻二唑结构的高分子可以显示出特别高的性能。
• ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS
  申请人：Brown Christopher T.

  公开号：US20110114184A1

  公开（公告）日：2011-05-19

  Polymers which can be used in p-type materials for organic electronic devices and photovoltaic cells. Compounds, monomers, dimers, trimers, and polymers comprising: wherein A1 and A2 each independently comprise a fused ring system comprising at least two fused rings directly covalently linked to the pyrrole rings. Good photovoltaic efficiency and lifetime can be achieved. The R group can provide solubility, environmental stability, and fine tuning of spectroscopic and/or electronic properties. Different polymer microstructures can be prepared which encourage multiple band gaps and broad and strong absorptions. The carbonyl can interact with adjacent thiophene rings to provide backbone with rigidity, induce planarity, and reduce and/or eliminate intramolecular chain twisting defects.

  可用于有机电子器件和光伏电池的p型材料的聚合物。 包括化合物、单体、二聚体、三聚体和聚合物，其中A1和A2各自独立地包括至少两个融合环系统，直接共价键连接到吡咯环。 可以实现良好的光伏效率和寿命。 R基团可以提供可溶性、环境稳定性和光谱和/或电子性质的微调。 可以制备不同的聚合物微结构，鼓励多重带隙和宽波段和强吸收。 羰基可以与相邻的噻吩环相互作用，提供具有刚性的主链，诱导平面性，并减少和/或消除分子内链扭曲缺陷。
• 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。