3,5-didodecyl-2,6-di-(5-bromo)thiophen-2-yl-cyclopenta[2,1-b:3,4-b']dithiophen-4-one | 1187970-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3,5-didodecyl-2,6-di-(5-bromo)thiophen-2-yl-cyclopenta[2,1-b:3,4-b']dithiophen-4-one
• 英文别名: 4,10-Bis(5-bromothiophen-2-yl)-5,9-didodecyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
• CAS: 1187970-33-7
• 化学式: C₄₁H₅₄Br₂OS₄
• 分子量: 850.951
• InChiKey: CNDIVLALWRDJIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  48
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5,5'-二溴-2,2'-联噻吩 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 正丁基锂 、 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 、 溴 、 溶剂黄146 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 、 正庚烷 、 氯仿 、 甲苯 为溶剂， 反应 39.25h， 生成 3,5-didodecyl-2,6-di-(5-bromo)thiophen-2-yl-cyclopenta[2,1-b:3,4-b']dithiophen-4-one
  参考文献：
  名称：

  Substituted oligo- or polythiophenes

  摘要：

  描述了一种制备取代2,2'-二硫代苯的方法，该方法包括步骤(a)、(c)和可选步骤(b)和(d)：a)将具有以下结构式的化合物与适当的有机锂化合物发生反应，优选为Li-烷基或Li-烷基胺；b)可选地将锂与从Mg1、Zn和Cu中选择的另一金属进行交换；c)将在步骤(a)或(b)中获得的金属化中间体与适当的亲电试剂发生反应，该亲电试剂为CO2或醛（加成反应），或化合物Y'-R17或Y'-R18-Z（取代反应），其中R17和R18如权利要求1所定义；并可选地d)修改在步骤(c)中获得的产物，例如通过引入一个或多个共轭基团Y环闭合在适当的一价残基R17之间，交换或延伸功能基团或取代基团，例如在R17或R18中的羰基加成或羰基取代。所得产物，包括或对应的聚合物，是优秀的导电材料

  公开号：

  US08436208B2

文献信息

• SUBSTITUTED OLIGO- OR POLYTHIOPHENES
  申请人：BASF SE

  公开号：EP2254929A2

  公开（公告）日：2010-12-01
• DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES
  申请人：Dueggeli Mathias

  公开号：US20120071617A1

  公开（公告）日：2012-03-22

  The present invention relates to polymers comprising one or more (repeating) unit(s) of the formula A polymer, comprising (repeating) unit(s) of the formula (1) and (2), wherein A is a repeating unit of the formula (I), and —COM 1 - is a repeating unit of formula (3), or (4), and their use as organic semiconductor in organic devices, especially in organic photovoltaics (solar cells) and photodiodes, or in a device containing a diode and/or an organic field effect transistor. The polymers according to the invention have excellent solubility in organic solvents and excellent film-forming properties. In addition, high efficiency of energy conversion, excellent field-effect mobility, good on/off current ratios and/or excellent stability can be observed, when the polymers according to the invention are used in organic field effect transistors, organic photovoltaics (solar cells) and photodiodes.
• POLYCYCLIC DITHIOPHENES
  申请人：BASF SE

  公开号：US20160104849A1

  公开（公告）日：2016-04-14

  The present invention relates to novel compounds of the formula wherein R 1 and R 1 ′ independently of each other are H or a substituent, halogen or SiR 6 R 4 R 5 ; R 2 and R 2 ′ may be the same or different and are selected from C 1 -C 25 alkyl, C 3 -C 12 cycloalkyl, C 2 -C 25 alkenyl, C 2 -C 25 alkynyl, C 4 -C 25 aryl, C 5 -C 25 alkylaryl or C 5 -C 25 aralkyl, each of which is unsubstituted or substituted, and under conditions as defined in claim 1, R 2 and/or R2′ may also be halogen or hydrogen; X is a divalent linking group selected from Y and Y′ independently are selected from n and p independently range from 0 to 6; where further symbols are as defined in claim 1, and to corresponding oligomers and (co)polymers.
• US8436208B2
  申请人：——

  公开号：US8436208B2

  公开（公告）日：2013-05-07
• US9233930B2
  申请人：——

  公开号：US9233930B2

  公开（公告）日：2016-01-12