2,6-dibromo-3,7-diheptadecylthieno[3,2-b]thieno[2',3':4,5]thieno[2,3-d]thiophene | 1256362-07-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: 2,6-dibromo-3,7-diheptadecylthieno[3,2-b]thieno[2',3':4,5]thieno[2,3-d]thiophene
• 英文别名: 4,11-dibromo-5,12-di(heptadecyl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
• CAS: 1256362-07-8
• 化学式: C₄₄H₇₀Br₂S₄
• 分子量: 887.112
• InChiKey: REDHBVHXKMCBPL-UHFFFAOYSA-N

物化性质

• 沸点：
  815.5±60.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  24.8
• 重原子数：
  50
• 可旋转键数：
  32
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-dibromo-3,7-diheptadecylthieno[3,2-b]thieno[2',3':4,5]thieno[2,3-d]thiophene 在 正丁基锂 、 三甲基氯化锡 作用下， 以97%的产率得到2,6-di(trimethylstannyl)-3,7-diheptadecylthieno[3,2-b]thieno[2',3':4,5]thieno[2,3-d]thiophene
  参考文献：
  名称：

  Scalable Synthesis of Fused Thiophene-Diketopyrrolopyrrole Semiconducting Polymers Processed from Nonchlorinated Solvents into High Performance Thin Film Transistors

  摘要：

  The synthesis and characterization of a fused thiophene-diketopyrrolopyrrole based semiconducting polymer PTDPPTFT4 is presented. A number of synthetic challenges have been overcome in the development of a practical scalable synthesis. Characterization by Gel Permeation Chromatography (GPC) over a range of temperatures has revealed the tendency of this polymer to aggregate even at elevated temperatures and confirmed that the molecular weight values obtained are for nonaggregated material. This polymer meets a number of important requirements for potential industrial applications, such as scalable synthesis, solubility in industrially suitable solvents, and material stability and processability into stable high performance thin film transistor devices. Computational modeling has been used to help explain the structure property relationships contributing to the high performance. Grazing incidence X-ray of the thin films showed out of plane lamellar packing and in plane pi-pi stacking, both good indicators of a preferentially oriented thin film, desirable for high charge carrier mobility. Hole mobilities in excess of 2 cm(2)/V.s, on/off ratio of >10(6), and threshold voltage <2 V have been achieved.

  DOI：

  10.1021/cm303953e
• 作为产物：
  描述：

  3,7-双十七烷基噻吩并[3,2-B]噻吩并[2',3':4,5]噻吩并[2,3-D]噻吩 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 2,6-dibromo-3,7-diheptadecylthieno[3,2-b]thieno[2',3':4,5]thieno[2,3-d]thiophene
  参考文献：
  名称：

  [EN] FUSED THIOPHENES, ARTICLES, AND METHODS THEREOF
  [FR] THIOPHÈNES FUSIONNÉS, ARTICLES ET PROCÉDÉS S'Y RAPPORTANT

  摘要：

  本发明提供了具有以下公式的融合噻吩（FT）化合物、FT聚合物、含有FT的物品以及用于制备和使用FT化合物和聚合物的方法，如下所定义。

  公开号：

  WO2010138650A1

文献信息

• CONJUGATED FUSED THIOPHENES, METHODS OF MAKING CONJUGATED FUSED THIOPHENES, AND USES THEREOF
  申请人：He Mingqian

  公开号：US20130109821A1

  公开（公告）日：2013-05-02

  Described herein are compositions including heterocyclic organic compounds based on fused thiophene compounds, polymers based on fused thiophene compounds, and methods for making the monomers and polymer along with uses in thin film-based and other devices.

  本文描述了包括基于融合噻吩化合物的杂环有机化合物、基于融合噻吩化合物的聚合物，以及制备单体和聚合物的方法，以及在薄膜基和其他设备中的用途。
• [EN] CONJUGATED FUSED THIOPHENES, METHODS OF MAKING CONJUGATED FUSED THIOPHENES, AND USES THEREOF<br/>[FR] THIOPHÈNES FUSIONNÉS CONJUGUÉS, PROCÉDÉS DE FABRICATION DE THIOPHÈNES FUSIONNÉS CONJUGUÉS ET LEURS UTILISATIONS
  申请人：CORNING INC

  公开号：WO2013066732A1

  公开（公告）日：2013-05-10

  Described herein are compositions including heterocyclic organic compounds based on fused thiophene compounds, polymers based on fused thiophene compounds, and methods for making the monomers and polymer along with uses in thin film-based and other devices.

  本文描述了包括基于融合噻吩化合物的杂环有机化合物、基于融合噻吩化合物的聚合物，以及制备单体和聚合物的方法，以及在薄膜基和其他设备中的用途。
• DI-TIN FUSED THIOPHENE COMPOUNDS AND POLYMERS AND METHODS OF MAKING
  申请人：He Mingqian

  公开号：US20120035375A1

  公开（公告）日：2012-02-09

  Di-tin fused thiophene (FT) compounds, FT polymers, such as of the formula --(FTx)-(Ar) m -} n -, FT polymer containing articles or devices, and methods for making and using the FT compounds and polymers thereof of the formulas, as defined herein.

  本发明涉及Di-tin融合噻吩（FT）化合物，FT聚合物，例如公式--(FTx)-(Ar)m-}n-，含有FT聚合物的物品或设备，以及制备和使用所述FT化合物和聚合物的方法，如本文所定义的公式。
• [EN] BORON ESTER FUSED THIOPHENE MONOMERS<br/>[FR] MONOMÈRES DE THIOPHÈNE FUSIONNÉS À UN ESTER DE BORE
  申请人：CORNING INC

  公开号：WO2015026882A1

  公开（公告）日：2015-02-26

  Boron ester fused thiophene monomers and salts of formula (I) or (II) are described along with methods for directly substituting boron esters onto fused thiophenes and methods for making polymers and extended conjugation small molecules therefrom. The methods allow for Suzuki coupling to be used in place of Stille coupling to form fused thiophene based polymers and extended small molecules. The described boron compounds generally have lower toxicity than tin compounds, such as those previously recognized with respect to fused thiophene based ditin monomers. ( l ), (ll), The polymers obtainable with these diboronated species feature the following structure: (Vlll)

  本文介绍了式(I)或(II)的硼酯融合噻吩单体和盐，以及直接将硼酯取代到融合噻吩上的方法和制备聚合物和扩展共轭小分子的方法。这些方法允许使用Suzuki偶联代替Stille偶联来形成基于融合噻吩的聚合物和扩展小分子。所述的硼化合物通常比锡化合物具有更低的毒性，例如以前在基于融合噻吩的二锡单体方面被认可的化合物。使用这些二硼化物可以获得具有以下结构的聚合物：(VIII)。
• FUSED THIOPHENES, METHODS OF MAKING FUSED THIOPHENES, AND USES THEREOF
  申请人：He Mingqian

  公开号：US20130085256A1

  公开（公告）日：2013-04-04

  Described herein are compositions including heterocyclic organic compounds based on fused thiophene compounds, polymers based on fused thiophene compounds, and methods for making the monomers and polymer along with uses in thin film-based and other devices.

  本文描述了基于融合噻吩化合物的杂环有机化合物组合物，基于融合噻吩化合物的聚合物，以及制备单体和聚合物的方法，以及在薄膜和其他设备中的用途。