4-trityl-4H-[1,2,4]triazole | 136633-98-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-trityl-4H-[1,2,4]triazole
• 英文别名: 4-(TRiphenylmethyl)-1,2,4-triazole；4-trityl-1,2,4-triazole
• CAS: 136633-98-2
• 化学式: C₂₁H₁₇N₃
• 分子量: 311.386
• InChiKey: XSVJCWHRKXWJMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 三苯基氯甲烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 生成 4-trityl-4H-[1,2,4]triazole 、 1-三苯甲基-1H-1,2,4-三唑
  参考文献：
  名称：

  An investigation into the alkylation of 1,2,4-triazole

  摘要：

  The alkylation of 1,2,4-triazole with 4-nitrobenzyl halides and a variety of bases afforded the 1- and 4-alkylated isomers with a consistent regioselectivity of 90:10. Previously reported regiospecific alkylations of 1,2,4-triazole were re-examined and the quoted isomer ratios were shown to depend on the isolation procedure. The use of DBU as base in the alkylation of 1,2,4-triazole allows for a convenient and high yielding synthesis of 1-substituted-1,2,4-triazoles. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02272-8

文献信息

• Katritzky, Alan R.; Kuzmierkiewiecz, Wojciech; Greenhill, John V., Recueil des Travaux Chimiques des Pays-Bas, 1991, vol. 110, # 9, p. 369 - 373
  作者：Katritzky, Alan R.、Kuzmierkiewiecz, Wojciech、Greenhill, John V.

  DOI：——

  日期：——
• An investigation into the alkylation of 1,2,4-triazole
  作者：Paul G Bulger、Ian F Cottrell、Cameron J Cowden、Antony J Davies、Ulf-H Dolling

  DOI：10.1016/s0040-4039(99)02272-8

  日期：2000.2

  The alkylation of 1,2,4-triazole with 4-nitrobenzyl halides and a variety of bases afforded the 1- and 4-alkylated isomers with a consistent regioselectivity of 90:10. Previously reported regiospecific alkylations of 1,2,4-triazole were re-examined and the quoted isomer ratios were shown to depend on the isolation procedure. The use of DBU as base in the alkylation of 1,2,4-triazole allows for a convenient and high yielding synthesis of 1-substituted-1,2,4-triazoles. (C) 2000 Elsevier Science Ltd. All rights reserved.