6-hydroxy-1-(2,5-diphenyl-2H-1,2,3-triazol-4-yl)hexan-1-one | 1083311-03-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-hydroxy-1-(2,5-diphenyl-2H-1,2,3-triazol-4-yl)hexan-1-one
• CAS: 1083311-03-8
• 化学式: C₂₀H₂₁N₃O₂
• 分子量: 335.406
• InChiKey: ZLIPWKHSWGFWNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.01
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  碘苯 、 6-hydroxy-1-(5-phenyl-2H-1,2,3-triazol-4-yl)hexan-1-one 在 potassium carbonate 、 L-脯氨酸 、 copper(l) chloride 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 以60%的产率得到6-hydroxy-1-(2,5-diphenyl-2H-1,2,3-triazol-4-yl)hexan-1-one
  参考文献：
  名称：

  Efficient Synthesis of N-2-Aryl-1,2,3-Triazole Fluorophores via Post-Triazole Arylation

  摘要：

  Efficient post-triazole regloselective N-2 arylation was developed from C-4, C-5 disubstituted-1,2,3-NH-triazoles. Three different approaches had been investigated, including SNAr, Cu(I) catalyzed aryl amidation and Cu(II) mediated boronic acid coupling. The N-2-aryl triazoles were successfully synthesized with excellent yields. The structures were characterized by X-ray crystallography and some N-2-triazole products gave strong fluorescence with various emission controlled by the C-5 groups.

  DOI：

  10.1021/ol802246q