Pentafluoro-[3-[4-(trifluoromethyl)triazol-1-yl]propyl]-lambda6-sulfane | 1262015-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Pentafluoro-[3-[4-(trifluoromethyl)triazol-1-yl]propyl]-lambda6-sulfane
• 英文别名: pentafluoro-[3-[4-(trifluoromethyl)triazol-1-yl]propyl]-λ6-sulfane
• CAS: 1262015-68-8
• 化学式: C₆H₇F₈N₃S
• 分子量: 305.195
• InChiKey: PPHMNDXZNMFHIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  31.7
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3,3,3-三氟-1-丙炔 、 1-azido-3-pentafluorosulfanylpropane 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 二甲基亚砜 为溶剂， 生成 Pentafluoro-[3-[4-(trifluoromethyl)triazol-1-yl]propyl]-lambda6-sulfane
  参考文献：
  名称：

  One-pot syntheses of 1,2,3-triazoles containing a pentafluorosulfanylalkyl group via click chemistry

  摘要：

  1,4-Disubstituted 1,2,3-triazoles containing a pentafluorosulfanylalkyl group were synthesized in good to excellent yields (57-91%) by the click cycloadditions of in situ generated SF5-alkyl azides with aromatic and aliphatic alkynes. Nucleophilic substitution of the SF5 group was observed for the first time in a bench-top reaction. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.149

文献信息

• One-pot syntheses of 1,2,3-triazoles containing a pentafluorosulfanylalkyl group via click chemistry
  作者：Yangen Huang、Gary L. Gard、Jean’ne M. Shreeve

  DOI：10.1016/j.tetlet.2010.10.149

  日期：2010.12

  1,4-Disubstituted 1,2,3-triazoles containing a pentafluorosulfanylalkyl group were synthesized in good to excellent yields (57-91%) by the click cycloadditions of in situ generated SF5-alkyl azides with aromatic and aliphatic alkynes. Nucleophilic substitution of the SF5 group was observed for the first time in a bench-top reaction. (C) 2010 Elsevier Ltd. All rights reserved.