1-benzyl-4-(p-tolyl)-5-(1H-1,2,4-triazol-1-yl)-1H-1,2,3-triazole | 1353745-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-benzyl-4-(p-tolyl)-5-(1H-1,2,4-triazol-1-yl)-1H-1,2,3-triazole
• 英文别名: 1-Benzyl-4-(4-methylphenyl)-5-(1,2,4-triazol-1-yl)triazole；1-benzyl-4-(4-methylphenyl)-5-(1,2,4-triazol-1-yl)triazole
• CAS: 1353745-28-4
• 化学式: C₁₈H₁₆N₆
• 分子量: 316.365
• InChiKey: FXKMORFRMSEPHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲苯基乙炔 在 盐酸 、 正丁基锂 、 chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II) 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 甲苯 为溶剂， 反应 12.5h， 生成 1-benzyl-4-(p-tolyl)-5-(1H-1,2,4-triazol-1-yl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Terminal Alkyne Addition to Diazodicarboxylates: Synthesis of Hydrazide Linked Alkynes (Ynehydrazides)

  摘要：

  A new route to form C-sp-N bonds has been developed via addition of in situ generated lithium acetylides to sterically hindered diazodicarboxylates. The reaction provides straightforward access to a previously unexplored ynehydrazide class of stable N-linked alkynes directly from commercially available precursors. Preliminary results show that alkynyl hydrazides are useful reagents for the selective installation of nitrogen functional groups and as precursors to pharmaceutically relevant heterocycles using metal catalyzed cycloadditions and condensations.

  DOI：

  10.1021/ol2031608

文献信息

• Terminal Alkyne Addition to Diazodicarboxylates: Synthesis of Hydrazide Linked Alkynes (Ynehydrazides)
  作者：Ramsay E. Beveridge、Robert A. Batey

  DOI：10.1021/ol2031608

  日期：2012.1.20

  A new route to form C-sp-N bonds has been developed via addition of in situ generated lithium acetylides to sterically hindered diazodicarboxylates. The reaction provides straightforward access to a previously unexplored ynehydrazide class of stable N-linked alkynes directly from commercially available precursors. Preliminary results show that alkynyl hydrazides are useful reagents for the selective installation of nitrogen functional groups and as precursors to pharmaceutically relevant heterocycles using metal catalyzed cycloadditions and condensations.