5,11-Diethyl-4,6,8,10,12-pentamethyl-2,2-bis(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 | 1183676-14-3

• 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: 5,11-Diethyl-4,6,8,10,12-pentamethyl-2,2-bis(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: 1183676-14-3
• 化学式: C₃₀H₂₅BF₁₀N₂
• 分子量: 614.337
• InChiKey: QAFAEVGMXGDLLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.12
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  7.9
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2,8-diethyl-1,3,5,7,9-pentamethyldipyrrin hydrochloride 、 氯[二(五氟苯基)]硼烷 在 Et₃N 作用下， 以 二氯甲烷 为溶剂， 以67%的产率得到5,11-Diethyl-4,6,8,10,12-pentamethyl-2,2-bis(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