1-(1-(naphthalen-1-yl)hept-2-ynyl)-1H-benzo[d][1,2,3]triazole | 1236769-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(1-(naphthalen-1-yl)hept-2-ynyl)-1H-benzo[d][1,2,3]triazole
• 英文别名: 1-(1-Naphthalen-1-ylhept-2-ynyl)benzotriazole；1-(1-naphthalen-1-ylhept-2-ynyl)benzotriazole
• CAS: 1236769-53-1
• 化学式: C₂₃H₂₁N₃
• 分子量: 339.44
• InChiKey: HNGVVBLDCUSYEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(naphthalen-1-yl)hept-2-yn-1-ol 、 T406石油添加剂 在 iron(III) chloride 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以88%的产率得到1-(1-(naphthalen-1-yl)hept-2-ynyl)-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  Iron-Catalyzed C−O Bond Activation for the Synthesis of Propargyl-1,2,3-triazoles and 1,1-Bis-triazoles

  摘要：

  The FeCl(3)-catalyzed triazole propargylation was developed. This transformation was suitable for a large scope of substituted propargyl alcohols, giving the corresponding propargyl triazoles In excellent yields (up to 96%). Further derivatization produced the 1,1-bis-triazoles in excellent yields and regioselectivity, which could be applied as potential transition metal ligands or new reagents.

  DOI：

  10.1021/ol101082v

文献信息

• Iron-Catalyzed C−O Bond Activation for the Synthesis of Propargyl-1,2,3-triazoles and 1,1-Bis-triazoles
  作者：Wuming Yan、Qiaoyi Wang、Yunfeng Chen、Jeffrey L. Petersen、Xiaodong Shi

  DOI：10.1021/ol101082v

  日期：2010.8.6

  The FeCl(3)-catalyzed triazole propargylation was developed. This transformation was suitable for a large scope of substituted propargyl alcohols, giving the corresponding propargyl triazoles In excellent yields (up to 96%). Further derivatization produced the 1,1-bis-triazoles in excellent yields and regioselectivity, which could be applied as potential transition metal ligands or new reagents.