ethyl 2-(5-(5-fluoro-1H-indazol-3-yl)-3-(methoxymethyl)-1H-1,2,4-triazol-1-yl)acetate | 1263816-14-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-(5-(5-fluoro-1H-indazol-3-yl)-3-(methoxymethyl)-1H-1,2,4-triazol-1-yl)acetate
• 英文别名: ethyl 2-[5-(5-fluoro-1H-indazol-3-yl)-3-(methoxymethyl)-1,2,4-triazol-1-yl]acetate
• CAS: 1263816-14-3
• 化学式: C₁₅H₁₆FN₅O₃
• 分子量: 333.322
• InChiKey: WDXCOEGFXHFPHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-氟吲唑-3-羧酸 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 6.0h， 生成 ethyl 2-(5-(5-fluoro-1H-indazol-3-yl)-3-(methoxymethyl)-1H-1,2,4-triazol-1-yl)acetate
  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.