1-(1-naphthyl)-3-methyl-4-ethoxycarbonyl-1H-1,2,3-triazolium chloride | 138002-12-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(1-naphthyl)-3-methyl-4-ethoxycarbonyl-1H-1,2,3-triazolium chloride
• 英文别名: ethyl 3-methyl-1-naphthalen-1-yltriazol-1-ium-4-carboxylate;chloride
• CAS: 138002-12-7
• 化学式: C₁₆H₁₆N₃O₂*Cl
• 分子量: 317.775
• InChiKey: WLAQESRDUJAJBP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1-naphthyl)-3-methyl-4-ethoxycarbonyl-1H-1,2,3-triazolium chloride 在 重水 作用下， 生成
  参考文献：
  名称：

  Proximity Effect in the Hydrogen-Deuterium Exchange and Deethoxycarbonylation of Peri-substituted Naphthalene with the 1,2,3-Triazole Ring

  摘要：

  The H-D exchange reaction and the deethoxycarboxylation in D2O of 1-[8-(4-ethoxycarbonyl-1H-1,2,3-triazol-1-yl)-1-naphthyl]-3-methyl-4-ethoxycarbonyl-1H-1,2,3-triazolium salts (1) were studied by H-1 nmr spectroscopy and compared with those of 1-(1-naphthyl)-3-methyl-4-ethoxycarbonyl-1H-1,2,3-triazolium salts (2). The reaction rates of 1 are found to be much faster than those of 2. The results suggest that the triazole ring in 1 interacts sterically with the N-methylated triazole ring to accelerate the reactions.

  DOI：

  10.3987/com-90-5440