1,5-dimethyl-1H-1,2,4-triazole | 16778-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,5-dimethyl-1H-1,2,4-triazole
• 英文别名: 2,3-Dimethyl-1,2,4-triazol；1,5-Dimethyl-1,2,4-triazol；1,5-Dimethyl-triazol；1,5-dimethyl-1,2,4-triazole
• CAS: 16778-78-2
• 化学式: C₄H₇N₃
• 分子量: 97.1197
• InChiKey: FRAKGJKEMLMXMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4,6-三甲基苯磺酰羟胺 、 1,5-dimethyl-1H-1,2,4-triazole 以 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Phenylcarbamoylation of N-Acetyl-1,2,4-triazolium-4-aminides Revisited

  摘要：

  The reaction of N-acetyl-1,2,4-triazolium-4-aminides (I, i.e. 1Aa-d) with phenyl isocyanate affords ring functionalized products (4a-d) rather than linear adducts (II). Analogous compounds are obtained from the triazolium-1-aminide (1Ae) and the imidazolium congener (W). Twofold carbamoylation to give products of type (8) occurs on reaction of aminotriazolium salts (7A) in the presence of base. Azoliums having methyl at C(5)/(2) are inert throughout (B series).

  DOI：

  10.3987/com-06-10836

文献信息

• Phenylcarbamoylation of N-Acetyl-1,2,4-triazolium-4-aminides Revisited
  作者：Dietrich Moderhack、Matthias Noreiks

  DOI：10.3987/com-06-10836

  日期：——

  The reaction of N-acetyl-1,2,4-triazolium-4-aminides (I, i.e. 1Aa-d) with phenyl isocyanate affords ring functionalized products (4a-d) rather than linear adducts (II). Analogous compounds are obtained from the triazolium-1-aminide (1Ae) and the imidazolium congener (W). Twofold carbamoylation to give products of type (8) occurs on reaction of aminotriazolium salts (7A) in the presence of base. Azoliums having methyl at C(5)/(2) are inert throughout (B series).