4-[4-(2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]-N,N-diphenylaniline | 1126901-48-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[4-(2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]-N,N-diphenylaniline
• CAS: 1126901-48-1
• 化学式: C₃₃H₂₄BF₂N₃
• 分子量: 511.381
• InChiKey: YYRBNZWQHPUJOU-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C(Solvent: Ligroine; Toluene)

计算性质

• 辛醇/水分配系数(LogP)：
  8.27
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  11.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-(4-bromophenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene 、 4-硼酸三苯胺 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 以44%的产率得到4-[4-(2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]-N,N-diphenylaniline
  参考文献：
  名称：

  Novel meso-Polyarylamine-BODIPY Hybrids: Synthesis and Study of Their Optical Properties

  摘要：

  A series of 14 meso-polyarylamine-BODIPY (borondipyrromethene) hybrids of the general structure A were synthesized. Two methods were used to prepare them. The first protocol involved a direct Liebeskind-Srogl cross-coupling of thiomethylbodipys 1-2 with arylaminoboronic acids (4 examples, 75-98%). The second method involves a two-step sequence: a Liebeskind-Srogl reaction to prepare 6 meso-bromoarylbodipys (58-83%) followed by a Suzuki coupling of these Br-containing BODIPYs with arylaminoboronic acids (10 examples, 44-84%). Seven of these derivatives displayed emission in the near-infrared region. The optical properties of compound 18 were rationalized in terms of its crystal structure.

  DOI：

  10.1021/jo802519b