1-[甲氧基(苯基)甲基]-1,2,4-三唑 | 105873-94-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[甲氧基(苯基)甲基]-1,2,4-三唑
• 英文名称: 1-α-methoxybenzyl-1,2,4-triazole
• 英文别名: 1H-1,2,4-Triazole, 1-(methoxyphenylmethyl)-；1-[methoxy(phenyl)methyl]-1,2,4-triazole
• CAS: 105873-94-7
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: PYQHGGXSGKNBQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-乙氧基苯甲酰胺 、 1-[甲氧基(苯基)甲基]-1,2,4-三唑 在 4-甲基苯磺酸吡啶 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 反应 2.0h， 以97.8%的产率得到2-Ethoxy-N-(phenyl-[1,2,4]triazol-1-yl-methyl)-benzamide
  参考文献：
  名称：

  Reaction of 1-(1-Alkoxyalkyl)-1H-1,2,4-triazole with Amides

  摘要：

  1-(1-Alkoxyalkyl)-1H-1,2,4-triazoles (4) were prepared by treating acetals (1) with 1H-1,2,4-triazole (2) in the presence of pyridinium p-toluenesulfonate (3). The alkoxy group of 4 was substituted with -NR4 COR3 group by treating with carboxamides to give various 1-(1-acylaminoalkyl)-1H-1,2,4-triazole (6) in variable yields.

  DOI：

  10.3987/com-90-5556
• 作为产物：
  描述：

  苯甲醛二甲缩醛 、 1H-1,2,4-三唑 在 对甲苯磺酸 作用下， 以 正己烷 为溶剂， 反应 23.0h， 生成 1-[甲氧基(苯基)甲基]-1,2,4-三唑
  参考文献：
  名称：

  唑类对苯甲醛及其二甲基缩醛的反应性。N，N'-重氮基苯基甲烷的合成

  摘要：

  在氯化锌的存在下，由吲唑和苯甲醛制备了一些1,1'-二吲唑基苯基甲烷。该反应是强烈依赖于基本的pK一个的唑类和仅少量的吡唑基衍生物可以通过此方法制备。通过使用苯甲醛二甲基乙缩醛可将该方法扩展至其他唑类。

  DOI：

  10.1016/s0040-4020(01)91435-8

文献信息

• Asymmetric induction using chiral 1,2,4-triazole and benzimidazole derivatives
  作者：Alan R. Katritzky、Diana C. Aslan、Peter Leeming、Peter J. Steel

  DOI：10.1016/s0957-4166(97)00155-9

  日期：1997.5

  Lithiated N-substituted 1,2,4-triazoles 3 and 8 and benzimidazole 11 reacted with (1R)-fenchone to give derivatives 5c, 9 and 12 in good yields as single diastereoisomers. (S)-Lactic acid 16 reacted with o-phenylenediamine 15 to give optically pure (S)-2-(I-hydroxyethyl)benzimidazole 17 (85%). Ring closures converted the fenchone derivative 12 into novel tricyclic fused benzimidazoles 13 and 14, and converted oxazolidine derivative 17 into compound 18 in yields of 50-70% as single diastereoisomers. Lithiated derivative 18 was alkylated to give compound 19 as a single diastereoisomer in high yield. (C) 1997 Elsevier Science Ltd.
• OHTA, SHUNSAKU;MARUYAMA, AKIHIKO;KAWASAKI, IKUO;HATAKEYAMA, SHOKO;ICHIKAW+, HETEROCYCLES, 31,(1990) N1, C. 2029-2036
  作者：OHTA, SHUNSAKU、MARUYAMA, AKIHIKO、KAWASAKI, IKUO、HATAKEYAMA, SHOKO、ICHIKAW+

  DOI：——

  日期：——
• Reaction of 1-(1-Alkoxyalkyl)-1H-1,2,4-triazole with Amides
  作者：Shunsaku Ohta、Akihiko Maruyama、Ikuo Kawasaki、Shoko Hatakeyama、Michiyo Ichikawa、Tomoko Guro

  DOI：10.3987/com-90-5556

  日期：——

  1-(1-Alkoxyalkyl)-1H-1,2,4-triazoles (4) were prepared by treating acetals (1) with 1H-1,2,4-triazole (2) in the presence of pyridinium p-toluenesulfonate (3). The alkoxy group of 4 was substituted with -NR4 COR3 group by treating with carboxamides to give various 1-(1-acylaminoalkyl)-1H-1,2,4-triazole (6) in variable yields.
• Reactivity of azoles towards benzaldehyde and its dimethylacetal. Synthesis of N,N'-diazolylphenylmethanes
  作者：P. Ballesteros、J. Elguero、R.M. Claramunt

  DOI：10.1016/s0040-4020(01)91435-8

  日期：1985.1

  Some 1,1'-diindazolylphenylmethanes have been prepared from indazoles and benzaldehyde in presence of zinc chloride as catalyst. The reaction was strongly dependent on the basic pKa 's of azoles and only few pyrazolyl derivatives could be prepared by this procedure. Extension of this method to other azoles was accomplished by using benzaldehyde dimethylacetal.

  在氯化锌的存在下，由吲唑和苯甲醛制备了一些1,1'-二吲唑基苯基甲烷。该反应是强烈依赖于基本的pK一个的唑类和仅少量的吡唑基衍生物可以通过此方法制备。通过使用苯甲醛二甲基乙缩醛可将该方法扩展至其他唑类。