2,5-bis(5'-(benzothieno[3,2-b]-2-thienyl)-3'-cyano-4'-hexyloxy-2'-thienyl)thiophene | 1357620-56-4

• 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: 2,5-bis(5'-(benzothieno[3,2-b]-2-thienyl)-3'-cyano-4'-hexyloxy-2'-thienyl)thiophene
• 英文别名: 2-[5-(3-Cyano-4-hexoxy-5-thieno[3,2-b][1]benzothiol-2-ylthiophen-2-yl)thiophen-2-yl]-4-hexoxy-5-thieno[3,2-b][1]benzothiol-2-ylthiophene-3-carbonitrile
• CAS: 1357620-56-4
• 化学式: C₄₆H₃₈N₂O₂S₇
• 分子量: 875.282
• InChiKey: FUUSRJYDLDIPMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  264
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3-cyano-4-hexyloxythiophene 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 为溶剂， 反应 18.67h， 生成 2,5-bis(5'-(benzothieno[3,2-b]-2-thienyl)-3'-cyano-4'-hexyloxy-2'-thienyl)thiophene
  参考文献：
  名称：

  Synthesis and Electronic Properties of D–A–D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks

  摘要：

  3-Alkoxy-4-cyanothiophene units are used as building block for the synthesis of conjugated donor acceptor donor (D-A-D) triads. The donor part consists of benzothienothiophene end groups associated with the alkoxy groups of the 3-alkoxy-4-cyanothiophene, while the central acceptor part is formed by combining the electron-withdrawing cyano group with thiophene or benzothiadiazole units.

  DOI：

  10.1021/jo202412t

文献信息

• Synthesis and Electronic Properties of D–A–D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks
  作者：Charlotte Mallet、Gurunathan Savitha、Magali Allain、Václav Kozmík、Jiří Svoboda、Pierre Frère、Jean Roncali

  DOI：10.1021/jo202412t

  日期：2012.2.17

  3-Alkoxy-4-cyanothiophene units are used as building block for the synthesis of conjugated donor acceptor donor (D-A-D) triads. The donor part consists of benzothienothiophene end groups associated with the alkoxy groups of the 3-alkoxy-4-cyanothiophene, while the central acceptor part is formed by combining the electron-withdrawing cyano group with thiophene or benzothiadiazole units.