5',11'-Diethyl-4',6',10',12'-tetramethylspiro[1,3-dioxa-2-boranuidacyclohexane-2,2'-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene] | 1415842-09-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5',11'-Diethyl-4',6',10',12'-tetramethylspiro[1,3-dioxa-2-boranuidacyclohexane-2,2'-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene]
• 英文别名: 5',11'-diethyl-4',6',10',12'-tetramethylspiro[1,3-dioxa-2-boranuidacyclohexane-2,2'-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene]
• CAS: 1415842-09-9
• 化学式: C₂₀H₂₉BN₂O₂
• 分子量: 340.273
• InChiKey: SLMLBSQXZRAOQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  26.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,6-diethyl-4,4-difluoro-1,3,5,7-tetramethyl-8H-4-bora-3a,4a-diaza-s-indacene 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 5',11'-Diethyl-4',6',10',12'-tetramethylspiro[1,3-dioxa-2-boranuidacyclohexane-2,2'-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：

  Conversion of F-BODIPYs to Cl-BODIPYs: Enhancing the Reactivity of F-BODIPYs

  摘要：

  A new method for the synthesis of Cl-BODIPYs from F-BODIPYs is reported, merely requiring treatment of the F-BODIPY with boron trichloride. Cl-BODIPYs are exploited as synthetic intermediates generated in situ for the overall conversion of F-BODIPYs to O- and C-BODIPYs in high overall yields using a mild one-pot procedure. This route enables F-BODIPYs to be transformed into derivatives that are not accessible via the direct route, as demonstrated via the use of 1,3-propanediol.

  DOI：

  10.1021/jo302277d