dimethyl (5-methoxy-5-oxo-1-phenylpentyl)sulfonium triflate | 1477519-53-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: dimethyl (5-methoxy-5-oxo-1-phenylpentyl)sulfonium triflate
• CAS: 1477519-53-1
• 化学式: CF₃O₃S*C₁₄H₂₁O₂S
• 分子量: 402.456
• InChiKey: VOKGODDQVUZREC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  83.5
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  dimethyl (5-methoxy-5-oxo-1-phenylpentyl)sulfonium triflate 、 足球烯 在 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 6.0h， 以58%的产率得到碳60衍生物
  参考文献：
  名称：

  Facile Synthesis of [6,6]-Phenyl-C61/71-Butyric Acid Methyl Esters via Sulfur Ylides for Bulk-Heterojunction Solar Cell

  摘要：

  A one-step, mild synthesis of methanofullerenes as electron acceptors for solution-processed bulk-heterojunction solar cells was developed. [6,6]-Phenyl-C-61-butyric acid methyl ester {[60]PCBM} was directly synthesized in good yields, by the reaction of fullerene with sulfur ylide derivatives in the presence of 1,8-diazabicyclo-[5.4.0]undec-7-ene (DBU) at room temperature. This method was also successfully applied to the preparation of [6,6]-phenyl-C-71-butyric acid methyl ester {[70]PCBM}.

  DOI：

  10.1055/s-0033-1339481
• 作为产物：
  描述：

  5-苯基-正戊酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 dimethyl (5-methoxy-5-oxo-1-phenylpentyl)sulfonium triflate
  参考文献：
  名称：

  Facile Synthesis of [6,6]-Phenyl-C61/71-Butyric Acid Methyl Esters via Sulfur Ylides for Bulk-Heterojunction Solar Cell

  摘要：

  A one-step, mild synthesis of methanofullerenes as electron acceptors for solution-processed bulk-heterojunction solar cells was developed. [6,6]-Phenyl-C-61-butyric acid methyl ester {[60]PCBM} was directly synthesized in good yields, by the reaction of fullerene with sulfur ylide derivatives in the presence of 1,8-diazabicyclo-[5.4.0]undec-7-ene (DBU) at room temperature. This method was also successfully applied to the preparation of [6,6]-phenyl-C-71-butyric acid methyl ester {[70]PCBM}.

  DOI：

  10.1055/s-0033-1339481