(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl 4-methylbenzenesulfonate | 1338831-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl 4-methylbenzenesulfonate
• 英文别名: [1-(3-Chlorophenyl)triazol-4-yl]methyl 4-methylbenzenesulfonate；[1-(3-chlorophenyl)triazol-4-yl]methyl 4-methylbenzenesulfonate
• CAS: 1338831-22-3
• 化学式: C₁₆H₁₄ClN₃O₃S
• 分子量: 363.824
• InChiKey: YQPUPOCMEMRAER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 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：
  82.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl 4-methylbenzenesulfonate 、 2-丙炔-1-醇 在 sodium azide 、 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以69%的产率得到[1-[[1-(3-Chlorophenyl)triazol-4-yl]methyl]triazol-4-yl]methanol
  参考文献：
  名称：

  Modular synthesis of mono, di, and tri-1,4-disubstituted-1,2,3-triazoles through copper-mediated alkyne–azide cycloaddition

  摘要：

  The synthesis of 1,2,3-triazoles was developed employing sequential copper azide-alkyne cycloaddition, tosylation, sodium azide, and copper azide-alkyne steps. This approach allowed the synthesis of two and three 1,2,3-triazole rings. A preliminary study to gain further insight into the reaction was performed using in situ ReactIR technology. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.004
• 作为产物：
  描述：

  1-叠氮基-3-氯苯 在 copper(l) iodide 、 五甲基二乙烯三胺 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Modular synthesis of mono, di, and tri-1,4-disubstituted-1,2,3-triazoles through copper-mediated alkyne–azide cycloaddition

  摘要：

  The synthesis of 1,2,3-triazoles was developed employing sequential copper azide-alkyne cycloaddition, tosylation, sodium azide, and copper azide-alkyne steps. This approach allowed the synthesis of two and three 1,2,3-triazole rings. A preliminary study to gain further insight into the reaction was performed using in situ ReactIR technology. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.004

文献信息

• Modular synthesis of mono, di, and tri-1,4-disubstituted-1,2,3-triazoles through copper-mediated alkyne–azide cycloaddition
  作者：Hélio A. Stefani、Hugo A. Canduzini、Flávia Manarin

  DOI：10.1016/j.tetlet.2011.09.004

  日期：2011.11

  The synthesis of 1,2,3-triazoles was developed employing sequential copper azide-alkyne cycloaddition, tosylation, sodium azide, and copper azide-alkyne steps. This approach allowed the synthesis of two and three 1,2,3-triazole rings. A preliminary study to gain further insight into the reaction was performed using in situ ReactIR technology. (C) 2011 Elsevier Ltd. All rights reserved.