4-Trimethylsilanyl-3-trimethylsilanyloxy-4H-[1,2,4]triazole | 80049-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Trimethylsilanyl-3-trimethylsilanyloxy-4H-[1,2,4]triazole
• CAS: 80049-41-8
• 化学式: C₈H₁₉N₃OSi₂
• 分子量: 229.429
• InChiKey: FEJOMTGSZBMUPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  39.94
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-O-acetyl-2,3,5-tri-O-benzoyl-α-D-ribofuranose 、 4-Trimethylsilanyl-3-trimethylsilanyloxy-4H-[1,2,4]triazole 在 四氯化锡 作用下， 反应 3.0h， 以30%的产率得到4-(2,3,5-Tri-O-benzoyl-β-D-ribofuranosyl)-1,2,4-triazol-3(2H)-one
  参考文献：
  名称：

  Ribofuranosyl Triazolone:  A Natural Product Herbicide with Activity on Adenylosuccinate Synthetase Following Phosphorylation

  摘要：

  2,4-Dihydro-4-(beta-D-ribofuranosyl)-1,2,4(3H)-triazol-3-one (2) was identified as the principal phytotoxic component of a fermentation broth derived from an Actinomadura. The compound is a new natural product, but known by synthesis. Broad-spectrum herbicidal activity was demonstrated in greenhouse tests. Metabolite reversal studies suggested the target site was adenylosuccinate synthetase, which was confirmed by direct measurement of the activity of the 5'-phosphorylated derivative on the isolated enzyme.

  DOI：

  10.1021/np990590i
• 作为产物：
  描述：

  1,2-二氢-3H-1,2,4-三氮唑-3-酮 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-Trimethylsilanyl-3-trimethylsilanyloxy-4H-[1,2,4]triazole
  参考文献：
  名称：

  Ribofuranosyl Triazolone:  A Natural Product Herbicide with Activity on Adenylosuccinate Synthetase Following Phosphorylation

  摘要：

  2,4-Dihydro-4-(beta-D-ribofuranosyl)-1,2,4(3H)-triazol-3-one (2) was identified as the principal phytotoxic component of a fermentation broth derived from an Actinomadura. The compound is a new natural product, but known by synthesis. Broad-spectrum herbicidal activity was demonstrated in greenhouse tests. Metabolite reversal studies suggested the target site was adenylosuccinate synthetase, which was confirmed by direct measurement of the activity of the 5'-phosphorylated derivative on the isolated enzyme.

  DOI：

  10.1021/np990590i