4-(5-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl)pyridine | 1263815-80-0

• 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: 4-(5-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl)pyridine
• 英文别名: 4-[5-(Thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
• CAS: 1263815-80-0
• 化学式: C₁₄H₁₁F₃N₄S
• 分子量: 324.329
• InChiKey: DTAXNFRCPOWVRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-噻吩乙酸 、 4-amidinopyridine hydrochloride 在 溶剂黄146 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-(5-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl)pyridine
  参考文献：
  名称：

  Rapid Synthesis of 1,3,5-Substituted 1,2,4-Triazoles from Carboxylic Acids, Amidines, and Hydrazines

  摘要：

  A general method for the synthesis of 1,3,5-trisubstituted 1,2,4-triazoles has been developed from reaction of carboxylic acids, primary amidines, and monosubstituted hydrazines. This highly regioselective and one-pot process provides rapid access to highly diverse triazoles.

  DOI：

  10.1021/jo1023393

文献信息

• Rapid Synthesis of 1,3,5-Substituted 1,2,4-Triazoles from Carboxylic Acids, Amidines, and Hydrazines
  作者：Georgette M. Castanedo、Pamela S. Seng、Nicole Blaquiere、Sean Trapp、Steven T. Staben

  DOI：10.1021/jo1023393

  日期：2011.2.18

  A general method for the synthesis of 1,3,5-trisubstituted 1,2,4-triazoles has been developed from reaction of carboxylic acids, primary amidines, and monosubstituted hydrazines. This highly regioselective and one-pot process provides rapid access to highly diverse triazoles.