3-(5’-butyl-2,2’-bithien-5-yl)-4,4-difluoro-2,6-dimethyl-5-(thien-2-yl)-4-bora-3a,4a-diaza-s-indacene | 1403582-82-0

• 英文名称: 3-(5’-butyl-2,2’-bithien-5-yl)-4,4-difluoro-2,6-dimethyl-5-(thien-2-yl)-4-bora-3a,4a-diaza-s-indacene
• CAS: 1403582-82-0
• 化学式: C₂₇H₂₅BF₂N₂S₃
• 分子量: 522.515
• InChiKey: BOQWFKJNLJOLHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  3-(5’-butyl-2,2’-bithien-5-yl)-4,4-difluoro-2,6-dimethyl-5-(thien-2-yl)-4-bora-3a,4a-diaza-s-indacene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以44%的产率得到3-(5-bromothien-2-yl)-5-(5'-butyl-2,2'-bithien-5-yl)-4,4-difluoro-2,6-dimethyl-4-bora-3a,4a-diaza-s-indacene
  参考文献：
  名称：

  Oligothienyl-BODIPYs: Red and Near-Infrared Emitters

  摘要：

  The synthesis of unsymmetrical 3,5-dioligothienyl-BODIPY derivatives and their optical and redox properties are reported. The key step is the monobromination of the 2,6-dimethyl-3,5-dithienyl-BODIPY at the a position of the thiophene moiety. The additional thiophene modules are attached by palladium-catalyzed cross-coupling reactions. Increasing the number of modules on each side of the BODIPY core progressively shifts the absorption to 677 nm and the emission to 769 nm.

  DOI：

  10.1021/ol302710z
• 作为产物：
  描述：

  4,4′-difluoro-2,6-dimethyl-3,5-(dithien-2-yl)-4-bora-3a,4a-diaza-s-indacene 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 18.0h， 生成 3-(5’-butyl-2,2’-bithien-5-yl)-4,4-difluoro-2,6-dimethyl-5-(thien-2-yl)-4-bora-3a,4a-diaza-s-indacene
  参考文献：
  名称：

  Oligothienyl-BODIPYs: Red and Near-Infrared Emitters

  摘要：

  The synthesis of unsymmetrical 3,5-dioligothienyl-BODIPY derivatives and their optical and redox properties are reported. The key step is the monobromination of the 2,6-dimethyl-3,5-dithienyl-BODIPY at the a position of the thiophene moiety. The additional thiophene modules are attached by palladium-catalyzed cross-coupling reactions. Increasing the number of modules on each side of the BODIPY core progressively shifts the absorption to 677 nm and the emission to 769 nm.

  DOI：

  10.1021/ol302710z