| 1276689-12-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1276689-12-3
• 化学式: C₂₅H₄₅NOSSn
• 分子量: 526.414
• InChiKey: QFLAHVJRFINBPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.27
• 重原子数：
  29.0
• 可旋转键数：
  17.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  33.02
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 碘 、 copper dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以32%的产率得到4,4'-bis(2-ethylhexyloxy)-2,2'-bithiophene-3,3'-dicarbonitrile
  参考文献：
  名称：

  Facile Synthesis of 3-Alkoxy-4-cyanothiophenes As New Building Blocks for Donor−Acceptor Conjugated Systems

  摘要：

  3-Alkoxy-4-cyanothiophenes are efficiently synthesized in two steps from the readily available 4-cyano-3-oxotetrahydrothiophene. Regioisomers of bithiophene derivatives are easily synthesized by playing on the strong electronic dissymmetry of the thiophene ring induced by the alkoxy and cyano groups.

  DOI：

  10.1021/ol200296j

文献信息

• A donor–acceptor–donor (D–A–D) molecule based on 3-alkoxy-4-cyanothiophene and dithienopyrrole units as active material for organic solar cells
  作者：Ali Yassin、Gurunathan Savitha、Philippe Leriche、Pierre Frère、Jean Roncali

  DOI：10.1039/c2nj40513j

  日期：——

  A symmetrical donor–acceptor–donor D–A–D system built by connecting two dithienopyrrole donor blocks to a central electron acceptor obtained by dimerization of 3-alkoxy-4-cyano-thiophene has been synthesized and characterized. The compound combines a high photoluminescence efficiency with a broad absorption spectrum in the solid state and a band gap of 1.70 eV. A preliminary evaluation of the potentialities of this type of compound as donor material in bulk heterojunction solar cells using PC61BM as electron acceptor is presented.

  通过将两个二噻吩并吡咯供体块连接到由3-烷氧基-4-氰基噻吩二聚化得到的中心电子受体，合成并表征了对称供体-受体-供体D-A-D系统。该化合物在固态下具有高光致发光效率和宽吸收光谱，带隙为1.70 eV。本文初步评估了这种化合物作为使用PC61BM作为电子受体的块状异质结太阳能电池中的供体材料的潜力。