1-(2-Bromo-4-fluorophenyl)-1H-1,2,3-triazole | 85862-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-Bromo-4-fluorophenyl)-1H-1,2,3-triazole
• 英文别名: 1-(2-bromo-4-fluorophenyl)triazole
• CAS: 85862-98-2
• 化学式: C₈H₅BrFN₃
• 分子量: 242.05
• InChiKey: LDRJSYXHDNCWNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Bromo-4-fluorophenyl)-1H-1,2,3-triazole 、 苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 三乙胺 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 生成
  参考文献：
  名称：

  镍或钯催化的四取代烯烃二氢吲哚三唑的立体选择性合成：对螺二氢吲哚核的延伸

  摘要：

  AbstractA nickel‐ or palladium‐catalyzed cascade approach to afford indolines‐fused triazoles with tetrasubstituted olefins in good yields with excellent control of regio‐ and stereoselectivity is described. We have also discussed the synthesis of unsaturated carbonyl species when the alkyne was appended to an alkyl chain. The synthetic methodology has been extended to construct the biologically active spiroindoline core via a vinylcylopropane (VCP) intermediate. The synthesized tetrasubstituted scaffolds were investigated for their photophysical properties and all of the them exhibited good absorption and fluorescence emission in the UV‐visible region.magnified image

  DOI：

  10.1002/adsc.201300760
• 作为产物：
  描述：

  2-溴-4-氟苯胺 在 盐酸 、 copper(l) iodide 、 sodium azide 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-(2-Bromo-4-fluorophenyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  镍或钯催化的四取代烯烃二氢吲哚三唑的立体选择性合成：对螺二氢吲哚核的延伸

  摘要：

  AbstractA nickel‐ or palladium‐catalyzed cascade approach to afford indolines‐fused triazoles with tetrasubstituted olefins in good yields with excellent control of regio‐ and stereoselectivity is described. We have also discussed the synthesis of unsaturated carbonyl species when the alkyne was appended to an alkyl chain. The synthetic methodology has been extended to construct the biologically active spiroindoline core via a vinylcylopropane (VCP) intermediate. The synthesized tetrasubstituted scaffolds were investigated for their photophysical properties and all of the them exhibited good absorption and fluorescence emission in the UV‐visible region.magnified image

  DOI：

  10.1002/adsc.201300760