5-(thiophen-2-ylselanylmethyl)-2H-tetrazole | 1380434-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(thiophen-2-ylselanylmethyl)-2H-tetrazole
• CAS: 1380434-91-2
• 化学式: C₆H₆N₄SSe
• 分子量: 245.166
• InChiKey: ATWAZZCKLSXMOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  82.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 sodium azide 、 zinc dibromide 作用下， 以 水 为溶剂， 反应 24.0h， 以84%的产率得到5-(thiophen-2-ylselanylmethyl)-2H-tetrazole
  参考文献：
  名称：

  Synthesis of novel selenium and tellurium-containing tetrazoles: a class of chalcogen compounds with antifungal activity

  摘要：

  We describe herein the synthesis and antifungal activity of new 5-arylchalcogenoalkyl-1H-tetrazoles 4. Arylchalcogenoalkyl-1H-tetrazoles 4 have been synthesized in high yields by reaction of arylchalcogenolate anions with chloronitriles 2, and subsequent [2+3] cycloaddition of resulting arylchalcogenoalkylnitriles 3 with sodium azide by zinc catalysis in aqueous solution. The obtained compound 4a was screened for antifungal activity and presented inhibitory property against seven fungal strains. This protocol is an efficient method to produce new selenium-nitrogen compounds with antifungal activity. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2012.04.040