ethyl 2-benzoyl-5-(p-tolyloxy)pentanoate | 1374241-33-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-benzoyl-5-(p-tolyloxy)pentanoate
• CAS: 1374241-33-4
• 化学式: C₂₁H₂₄O₄
• 分子量: 340.419
• InChiKey: MBUQPQQNQVWHIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  25.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-benzoyl-5-(p-tolyloxy)pentanoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以72%的产率得到4-(p-cresoxy)butyl phenyl ketone
  参考文献：
  名称：

  Highly Efficient Inverted Polymer Solar Cells Based on an Alcohol Soluble Fullerene Derivative Interfacial Modification Material

  摘要：

  A phosphate group-containing bisadducts fullerene derivative bis-[6,6]-phenyl-C-60-pentyl phosphoric diethyl ester (B-PCPO) has been developed as an indium tin oxide (ITO) interlayer material in inverted polymer solar cells. The B-PCPO possessed good alcohol solubility, n-type nature, good electron transporting ability, and ITO modification function simultaneously, and it was utilized as an ITO interlayer in solution-processed multilayer inverted bulk-heterojunction polymer solar cells to improve the electron transporting and collection. It was found that the B-PCPO interlayer could effectively decrease the work function of ITO and thereby enhance the electron collection of ITO electrode. The device studies showed that the resulting solar cells' efficiencies were significantly increased from 4.83% to 6.20% by using a B-PCPO interlayer, benefiting from the dramatic enhancement in open circuit voltage and moderate increase in fill factor. Our results provide a promising approach to improve the performance of inverted polymer solar cells.

  DOI：

  10.1021/cm300824h
• 作为产物：
  描述：

  1-(3-溴丙氧基)-4-甲基苯 、 苯甲酰乙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以50%的产率得到ethyl 2-benzoyl-5-(p-tolyloxy)pentanoate
  参考文献：
  名称：

  Highly Efficient Inverted Polymer Solar Cells Based on an Alcohol Soluble Fullerene Derivative Interfacial Modification Material

  摘要：

  A phosphate group-containing bisadducts fullerene derivative bis-[6,6]-phenyl-C-60-pentyl phosphoric diethyl ester (B-PCPO) has been developed as an indium tin oxide (ITO) interlayer material in inverted polymer solar cells. The B-PCPO possessed good alcohol solubility, n-type nature, good electron transporting ability, and ITO modification function simultaneously, and it was utilized as an ITO interlayer in solution-processed multilayer inverted bulk-heterojunction polymer solar cells to improve the electron transporting and collection. It was found that the B-PCPO interlayer could effectively decrease the work function of ITO and thereby enhance the electron collection of ITO electrode. The device studies showed that the resulting solar cells' efficiencies were significantly increased from 4.83% to 6.20% by using a B-PCPO interlayer, benefiting from the dramatic enhancement in open circuit voltage and moderate increase in fill factor. Our results provide a promising approach to improve the performance of inverted polymer solar cells.

  DOI：

  10.1021/cm300824h