C,C,C-trifluoro-N-(1H-[1,2,4]triazol-3-yl)-methanesulfonamide | 23375-26-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: C,C,C-trifluoro-N-(1H-[1,2,4]triazol-3-yl)-methanesulfonamide
• 英文别名: 1,1,1-trifluoro-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
• CAS: 23375-26-0
• 化学式: C₃H₃F₃N₄O₂S
• 分子量: 216.144
• InChiKey: QKPKQAGQFMZLRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  96.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 三氟甲基磺酰氟 在 三乙胺 作用下， 以 乙腈 为溶剂， 以68%的产率得到C,C,C-trifluoro-N-(1H-[1,2,4]triazol-3-yl)-methanesulfonamide
  参考文献：
  名称：

  Trifluoromethanesulfonamide derivatives of azoles

  摘要：

  Trifluoromethanesulfonamide-substituted azoles were synthesized by the reaction of 5-aminotetrazole, 3-amino-1,2,4-triazole and 3,5-diamine-1,2,4-triazole with trifluoromethanesulfonyl fluoride to prepare only monosubstituted compounds. All the compounds were fully characterized using ((1)H, (19)F, (13)C) NMR spectroscopy, mass spectrometry (MS), and elemental analysis. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.01.007

文献信息

• Trifluoromethanesulfonamide derivatives of azoles
  作者：Sonali Garg、Jean’ne M. Shreeve

  DOI：10.1016/j.jfluchem.2011.01.007

  日期：2011.4

  Trifluoromethanesulfonamide-substituted azoles were synthesized by the reaction of 5-aminotetrazole, 3-amino-1,2,4-triazole and 3,5-diamine-1,2,4-triazole with trifluoromethanesulfonyl fluoride to prepare only monosubstituted compounds. All the compounds were fully characterized using ((1)H, (19)F, (13)C) NMR spectroscopy, mass spectrometry (MS), and elemental analysis. (C) 2011 Elsevier B.V. All rights reserved.