4,4'-bis(hexyloxy)-2,2'-bithiophene-3,3'-dicarbonitrile | 1276689-15-6

• 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: 4,4'-bis(hexyloxy)-2,2'-bithiophene-3,3'-dicarbonitrile
• 英文别名: 2-(3-Cyano-4-hexoxythiophen-2-yl)-4-hexoxythiophene-3-carbonitrile；2-(3-cyano-4-hexoxythiophen-2-yl)-4-hexoxythiophene-3-carbonitrile
• CAS: 1276689-15-6
• 化学式: C₂₂H₂₈N₂O₂S₂
• 分子量: 416.609
• InChiKey: GNVTWJNEWAMDDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  28
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-hexyloxy-4-cyano-5-(tributylstannyl)thiophene 在 碘 、 copper dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以45%的产率得到4,4'-bis(hexyloxy)-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

• Facile Synthesis of 3-Alkoxy-4-cyanothiophenes As New Building Blocks for Donor−Acceptor Conjugated Systems
  作者：Noémie Hergué、Charlotte Mallet、Gurunathan Savitha、Magali Allain、Pierre Frère、Jean Roncali

  DOI：10.1021/ol200296j

  日期：2011.4.1

  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.