(2R)-5,11-diethyl-2-fluoro-4,6,8,10,12-pentamethyl-2-(2,3,4,5,6-pentafluorophenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene | 1183676-11-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R)-5,11-diethyl-2-fluoro-4,6,8,10,12-pentamethyl-2-(2,3,4,5,6-pentafluorophenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
• CAS: 1183676-11-0
• 化学式: C₂₄H₂₅BF₆N₂
• 分子量: 466.277
• InChiKey: WAFAWPJOUIYFOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.98
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  7.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,8-diethyl-1,3,5,7,9-pentamethyldipyrrin hydrochloride 、 difluoro (pentafluorophenyl)borane 在 Et₃N 作用下， 以 二氯甲烷 为溶剂， 以62%的产率得到(2R)-5,11-diethyl-2-fluoro-4,6,8,10,12-pentamethyl-2-(2,3,4,5,6-pentafluorophenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
  参考文献：
  名称：

  Perfluoroaryl-Substituted Boron Dipyrrinato Complexes

  摘要：

  A methodology for the incorporation of fluoroaryl groups into boron dipyrrinato complexes (modified BODIPY dyes) is reported. Two hexaalkylated dipyrrinato ligands with either H or CH3 occupying the meso position were employed; when they were treated with fluoroaryl haloboranes in the presence of a weak base, the title compounds were prepared in good to excellent yields. The structures of seven derivatives were determined using X-ray crystallography, and their spectroscopic, photophysical, and redox properties are compared.

  DOI：

  10.1021/om900402e