o-di(2-ethylhexyl)benzene | 15433-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: o-di(2-ethylhexyl)benzene
• 英文别名: 1,2-bis(2-ethylhexyl)benzene
• CAS: 15433-62-2
• 化学式: C₂₂H₃₈
• 分子量: 302.544
• InChiKey: RDAGYWUMBWNXIC-UHFFFAOYSA-N

物化性质

• 沸点：
  382.5±12.0 °C(Predicted)
• 密度：
  0.854±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  o-di(2-ethylhexyl)benzene 在 四(三苯基膦)钯 、 草酰氯 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 33.34h， 生成 6,7-bis(2-ethylhexyl)-1,3-di(thiophen-2-yl)naphtho[2,3-c]thiophene-4,9-dione
  参考文献：
  名称：

  Enhanced photovoltaic effect from naphtho[2,3-c]thiophene-4,9-dione-based polymers through alkyl side chain induced backbone distortion

  摘要：

  合成了两种具有不同侧链取代位置的共轭聚合物，以研究它们的光伏性能。

  DOI：

  10.1039/d0ta02859b
• 作为产物：
  描述：

  邻二氯苯 、 2-ethylhexylmagnesium bromide 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 乙醚 为溶剂， 反应 72.0h， 以75.36%的产率得到o-di(2-ethylhexyl)benzene
  参考文献：
  名称：

  Enhanced photovoltaic effect from naphtho[2,3-c]thiophene-4,9-dione-based polymers through alkyl side chain induced backbone distortion

  摘要：

  合成了两种具有不同侧链取代位置的共轭聚合物，以研究它们的光伏性能。

  DOI：

  10.1039/d0ta02859b

文献信息

• 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 polymers
  申请人：Brown Christopher T.

  公开号：US08968885B2

  公开（公告）日：2015-03-03

  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：可实现良好的光伏效率和寿命。R基团可提供溶解度、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，鼓励多重带隙和广泛强烈吸收。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。包括苯并二噻吩和/或苯并噻二唑结构的聚合物可以表现出特别高的性能。
• Compositions, methods and polymers
  申请人：Brown Christopher T.

  公开号：US08440785B2

  公开（公告）日：2013-05-14

  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.

  一种组成物，包括由噻吩单元组成的同聚物或共聚物，例如，用于低带隙材料的有机光伏活性层中的使用。通过聚合方法，包括单体结构的选择和单体组分的比例，可以调节带隙和其他性质。此外，还提供了一种二聚体，用于制备交替共聚物，进一步包括至少一个噻吩基团化合物共价连接到不同噻吩基团或至少一个不是噻吩的基团的第二个单体基团。该组成物可以共聚合成交替共聚物，进一步加工成用于印刷有机电子设备中的聚合膜。设计了一系列新型共聚物，可以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（例如，有机光伏、有机发光二极管、有机场效应晶体管）的使用非常有利。还公开了制备含苯并[2,1-b:3,4-b′]噻吩基团的单体的改进方法，该单体对于制备电子材料非常有用。
• 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。
• [EN] ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS<br/>[FR] POLYMÈRES ET DISPOSITIFS ORGANIQUES ÉLECTRIQUES, COMPRENANT DES CELLULES PHOTOVOLTAÏQUES ET DES POLYMÈRES À BASE DE DICÉTONE
  申请人：PLEXTRONICS INC

  公开号：WO2011028827A3

  公开（公告）日：2011-05-26