2-(3-Fluorophenyl)-4-(phenylmethoxymethyl)triazole | 1337917-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-Fluorophenyl)-4-(phenylmethoxymethyl)triazole
• CAS: 1337917-17-5
• 化学式: C₁₆H₁₄FN₃O
• 分子量: 283.305
• InChiKey: GBLRKIHXHQJNAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苄基丙炔基醚 在 2-二叔丁基膦-3,4,5,6-四甲基-2′,4′,6′-三异丙基-1,1′-联苯 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 叠氮基三甲基硅烷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 23.0h， 生成 2-(3-Fluorophenyl)-4-(phenylmethoxymethyl)triazole
  参考文献：
  名称：

  Highly N2-Selective Palladium-Catalyzed Arylation of 1,2,3-Triazoles

  摘要：

  Highly N2-selective arylation of 4,5-unsubstituted and 4-substituted 1,2,3-triazoles was achieved for the first time by Pd/L1 catalyst system. A wide range of N2-aryl-1,2,3-triazoles were prepared from aryl bromides, chlorides and triflates with excellent (95–99%) N2-selectivity. DFT calculations suggest that formation of N2-arylated 1,2,3-triazoles is favored kinetically.

  DOI：

  10.1002/anie.201103882

文献信息

• Highly N2-Selective Palladium-Catalyzed Arylation of 1,2,3-Triazoles
  作者：Satoshi Ueda、Mingjuan Su、Stephen L. Buchwald

  DOI：10.1002/anie.201103882

  日期：2011.9.12

  Highly N2-selective arylation of 4,5-unsubstituted and 4-substituted 1,2,3-triazoles was achieved for the first time by Pd/L1 catalyst system. A wide range of N2-aryl-1,2,3-triazoles were prepared from aryl bromides, chlorides and triflates with excellent (95–99%) N2-selectivity. DFT calculations suggest that formation of N2-arylated 1,2,3-triazoles is favored kinetically.