diethyl (8-(2,6-dichlorophen-1-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacen-3-yl)malonate | 1269636-21-6

• 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: diethyl (8-(2,6-dichlorophen-1-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacen-3-yl)malonate
• 英文别名: Diethyl 2-[8-(2,6-dichlorophenyl)-2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanedioate
• CAS: 1269636-21-6
• 化学式: C₂₂H₁₉BCl₂F₂N₂O₄
• 分子量: 495.118
• InChiKey: CKCUYUGZZHSADO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-(2,6-Dichlorophenyl)dipyrromethene 在 三氟化硼乙醚 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 diethyl (8-(2,6-dichlorophen-1-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacen-3-yl)malonate
  参考文献：
  名称：

  Vicarious Nucleophilic Substitution of α-Hydrogen of BODIPY and Its Extension to Direct Ethenylation

  摘要：

  Direct, oxidizer-free substitution of the 3-hydrogen of BODIPY derivatives has been established through a vicarious nucleophilic substitution procedure. This methodology has been combined with a reversible Michael addition on nitrostyrenes to provide a novel, highly efficient entry to the valuable 3-styrylated BODIPY dyes.

  DOI：

  10.1021/ol200148u

文献信息

• Vicarious Nucleophilic Substitution of α-Hydrogen of BODIPY and Its Extension to Direct Ethenylation
  作者：Volker Leen、Mark Van der Auweraer、Noël Boens、Wim Dehaen

  DOI：10.1021/ol200148u

  日期：2011.3.18

  Direct, oxidizer-free substitution of the 3-hydrogen of BODIPY derivatives has been established through a vicarious nucleophilic substitution procedure. This methodology has been combined with a reversible Michael addition on nitrostyrenes to provide a novel, highly efficient entry to the valuable 3-styrylated BODIPY dyes.