3-(2-(7-hydroxy-2-oxo-2H-chromene-3-yl)ethenyl)-4,4-difluoro-8-phenyl-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene | 1346235-81-1

• 英文名称: 3-(2-(7-hydroxy-2-oxo-2H-chromene-3-yl)ethenyl)-4,4-difluoro-8-phenyl-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
• CAS: 1346235-81-1
• 化学式: C₂₉H₂₃BF₂N₂O₃
• 分子量: 496.321
• InChiKey: PLZJJDIXOJDCJD-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：
  None
• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  三异丙基氯硅烷 、 3-(2-(7-hydroxy-2-oxo-2H-chromene-3-yl)ethenyl)-4,4-difluoro-8-phenyl-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.67h， 以95.7%的产率得到3-(2-(7-triisopropylsilyloxy-2-oxo-2H-chromene-3-yl)ethenyl)-4,4-difluoro-8-phenyl-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
  参考文献：
  名称：

  Ratiometric Sensing of Fluoride Anions Based on a BODIPY-Coumarin Platform

  摘要：

  Based on a new coumarin-BODIPY platform, compound 4 was rationally designed and synthesized as a novel ratiometric fluorescent sensor for fluoride anions. The sensor exhibited a large red shift (88 nm) in absorption and a drastic ratiometric fluorescent response (I-472/I-606 = 17.4) to fluoride anions. Density function theory and time-dependent density function theory calculations were conducted to rationalize the optical response of the sensor.

  DOI：

  10.1021/ol202595t
• 作为产物：
  描述：

  7-hydroxy-2-oxo-2H-chromene-3-carbaldehyde 、 1,3,5,7-四甲基-8-苯基-4,4-二氟二氮杂丁烷 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 以5.5%的产率得到3-(2-(7-hydroxy-2-oxo-2H-chromene-3-yl)ethenyl)-4,4-difluoro-8-phenyl-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
  参考文献：
  名称：

  Ratiometric Sensing of Fluoride Anions Based on a BODIPY-Coumarin Platform

  摘要：

  Based on a new coumarin-BODIPY platform, compound 4 was rationally designed and synthesized as a novel ratiometric fluorescent sensor for fluoride anions. The sensor exhibited a large red shift (88 nm) in absorption and a drastic ratiometric fluorescent response (I-472/I-606 = 17.4) to fluoride anions. Density function theory and time-dependent density function theory calculations were conducted to rationalize the optical response of the sensor.

  DOI：

  10.1021/ol202595t