(4-((1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)methyl)-1H-1,2,3-triazol-1-yl)methyl pivalate | 1236769-77-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: (4-((1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)methyl)-1H-1,2,3-triazol-1-yl)methyl pivalate
• 英文别名: [4-[Benzotriazol-1-yl-(2-methoxyphenyl)methyl]triazol-1-yl]methyl 2,2-dimethylpropanoate；[4-[benzotriazol-1-yl-(2-methoxyphenyl)methyl]triazol-1-yl]methyl 2,2-dimethylpropanoate
• CAS: 1236769-77-9
• 化学式: C₂₂H₂₄N₆O₃
• 分子量: 420.471
• InChiKey: NLKMKJGIPIYZJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  97
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  azidomethyl pivalate 、 1-(1-(2-methoxyphenyl)-3-(trimethylsilyl)prop-2-ynyl)-1H-benzo[d][1,2,3]triazole 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 12.0h， 以96%的产率得到(4-((1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)methyl)-1H-1,2,3-triazol-1-yl)methyl pivalate
  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.