benzyl (2R)-2-[2-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate | 1263816-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: benzyl (2R)-2-[2-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate
• CAS: 1263816-03-0
• 化学式: C₂₁H₂₁ClN₄O₂
• 分子量: 396.876
• InChiKey: ZKHSMUAWFDRWEE-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-苄氧羰基-D-脯氨酸 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 7.0h， 生成 benzyl (2R)-2-[2-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate
  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.