2,4,6-triazido-5-chloro-3-(trifluoromethyl)pyridine | 1068629-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,4,6-triazido-5-chloro-3-(trifluoromethyl)pyridine
• 英文别名: 2,4,6-Triazido-3-chloro-5-trifluoromethylpyridine；2,4,6-triazido-3-chloro-5-(trifluoromethyl)pyridine
• CAS: 1068629-83-3
• 化学式: C₆ClF₃N₁₀
• 分子量: 304.581
• InChiKey: LIZFSIWJTDJWNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,3,4,6-tetrachloro-5-trifluoromethylpyridine 在 sodium azide 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 以95%的产率得到2,4,6-triazido-5-chloro-3-(trifluoromethyl)pyridine
  参考文献：
  名称：

  Synthesis and structure of asymmetric 2,4,6-triazidopyridines

  摘要：

  The reactions of 3-cyanotetrafluoropyridine and tetrachloro-3-trifluoromethylpyridine with sodium azide lead to the corresponding 2,4,6-triazido-5-cyano-3-fluoropyridine and 2,4,6-triazido-5-chloro-3-trifluoromethylpyridine. With the aid of comparative X-ray structural analysis of 2,4,6-triazido-5-cyano-3-fluoropyridine and its previously known 3-chloro-substituted derivative it was established that the geometric parameters and reactivity of the azide groups in the asymmetric 2,4,6-triazidopyridines depend not only on the position of these groups in the pyridine ring but also on their mutual orientation in space.

  DOI：

  10.1007/s10593-011-0841-x

文献信息

• Synthesis and structure of asymmetric 2,4,6-triazidopyridines
  作者：S. V. Chapyshev、D. V. Korchagin、G. V. Shilov、S. M. Aldoshin

  DOI：10.1007/s10593-011-0841-x

  日期：2011.10

  The reactions of 3-cyanotetrafluoropyridine and tetrachloro-3-trifluoromethylpyridine with sodium azide lead to the corresponding 2,4,6-triazido-5-cyano-3-fluoropyridine and 2,4,6-triazido-5-chloro-3-trifluoromethylpyridine. With the aid of comparative X-ray structural analysis of 2,4,6-triazido-5-cyano-3-fluoropyridine and its previously known 3-chloro-substituted derivative it was established that the geometric parameters and reactivity of the azide groups in the asymmetric 2,4,6-triazidopyridines depend not only on the position of these groups in the pyridine ring but also on their mutual orientation in space.