1-(5-hexylthiophen-2-yl)hexan-1-one | 1233331-23-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-hexylthiophen-2-yl)hexan-1-one
• 英文别名: 1-(5-Hexylthiophen-2-yl)hexan-1-one
• CAS: 1233331-23-1
• 化学式: C₁₆H₂₆OS
• 分子量: 266.448
• InChiKey: JEEZBVFGCAJFMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-hexylthiophen-2-yl)hexan-1-one 、 足球烯 在 四溴化碳 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 邻二氯苯 为溶剂， 反应 4.0h， 以33%的产率得到
  参考文献：
  名称：

  Mono-Ketone Modified C₆₀s for Acceptor Materials in Organic Photovoltaic Cells

  摘要：

  We designed and synthesized methanofullerene derivatives with several types of thiophenyl mono-ketone for application in organic photovoltaic cells (OPVCs) as new accepter materials. The various mono-ketones having thiophene rings were substituted onto fullerene through application of Hirch-Bingel reaction under mild condition to compete with donor materials especially P3HT [Poly(3-hexylthiophene)] for nano-networking bulk-heterojunction structure where efficient light-induced charge separation is enable by a large-area donor-acceptor interface. The newly synthesized methanofullerene derivatives were characterized through H-1-NMR and FAB Mass spectroscopy. The compounds were also applied in OPV cell devices with P3HT as a donor material and measured electrochemical the property and power conversion efficiency.

  DOI：

  10.1080/15421400802330689
• 作为产物：
  描述：

  2-正己基噻吩 、 己酰氯 在 N-溴代丁二酰亚胺(NBS) 、 magnesium 作用下， 以 N,N-二甲基甲酰胺 、 四氢呋喃 为溶剂， 反应 9.0h， 生成 1-(5-hexylthiophen-2-yl)hexan-1-one
  参考文献：
  名称：

  Mono-Ketone Modified C₆₀s for Acceptor Materials in Organic Photovoltaic Cells

  摘要：

  We designed and synthesized methanofullerene derivatives with several types of thiophenyl mono-ketone for application in organic photovoltaic cells (OPVCs) as new accepter materials. The various mono-ketones having thiophene rings were substituted onto fullerene through application of Hirch-Bingel reaction under mild condition to compete with donor materials especially P3HT [Poly(3-hexylthiophene)] for nano-networking bulk-heterojunction structure where efficient light-induced charge separation is enable by a large-area donor-acceptor interface. The newly synthesized methanofullerene derivatives were characterized through H-1-NMR and FAB Mass spectroscopy. The compounds were also applied in OPV cell devices with P3HT as a donor material and measured electrochemical the property and power conversion efficiency.

  DOI：

  10.1080/15421400802330689

文献信息

• <i>Mono</i>-Ketone Modified C₆₀s for Acceptor Materials in Organic Photovoltaic Cells
  作者：Hak Sung Lee、Sung Cheol Yoon、Jongsun Lim、Myongsoo Lee、Changjin Lee

  DOI：10.1080/15421400802330689

  日期：2008.10.9

  We designed and synthesized methanofullerene derivatives with several types of thiophenyl mono-ketone for application in organic photovoltaic cells (OPVCs) as new accepter materials. The various mono-ketones having thiophene rings were substituted onto fullerene through application of Hirch-Bingel reaction under mild condition to compete with donor materials especially P3HT [Poly(3-hexylthiophene)] for nano-networking bulk-heterojunction structure where efficient light-induced charge separation is enable by a large-area donor-acceptor interface. The newly synthesized methanofullerene derivatives were characterized through H-1-NMR and FAB Mass spectroscopy. The compounds were also applied in OPV cell devices with P3HT as a donor material and measured electrochemical the property and power conversion efficiency.