4-[3,3-dimethyltriaz-1-en-1-yl]-1H-pyrazol-5-carboxylic acid methyl ester | 27321-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[3,3-dimethyltriaz-1-en-1-yl]-1H-pyrazol-5-carboxylic acid methyl ester
• 英文别名: methyl 4-(dimethylaminodiazenyl)-1H-pyrazole-5-carboxylate
• CAS: 27321-50-2
• 化学式: C₇H₁₁N₅O₂
• 分子量: 197.197
• InChiKey: NZCAOGJBEDUZHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[3,3-dimethyltriaz-1-en-1-yl]-1H-pyrazol-5-carboxylic acid methyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 dipotassium 4-[3,3-dimethyltriaz-1-en-1-yl]-1H-pyrazol-5-carboxylate
  参考文献：
  名称：

  Diversity-Oriented Synthesis of Substituted Pyrazolo[4,3-d][1,2,3]triazin-4-ones

  摘要：

  An efficient synthesis of 3,7-disubstituted 3,5-dihydro-4H-pyrazolo[4,3-d][1,2,3]triazin-4-ones (2), especially suited for late-stage decoration, is described. Diverse 3-benzyl analogs were obtained by amidation-cyclization in one pot and various pyrazolotriazinone-7-bromides were employed in Suzuki and Sonogashira cross-coupling reactions.

  DOI：

  10.3987/com-08-11482
• 作为产物：
  描述：

  二甲胺 、 4-氨基-1H-吡唑-3-羧酸甲酯 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 4-[3,3-dimethyltriaz-1-en-1-yl]-1H-pyrazol-5-carboxylic acid methyl ester
  参考文献：
  名称：

  Diversity-Oriented Synthesis of Substituted Pyrazolo[4,3-d][1,2,3]triazin-4-ones

  摘要：

  An efficient synthesis of 3,7-disubstituted 3,5-dihydro-4H-pyrazolo[4,3-d][1,2,3]triazin-4-ones (2), especially suited for late-stage decoration, is described. Diverse 3-benzyl analogs were obtained by amidation-cyclization in one pot and various pyrazolotriazinone-7-bromides were employed in Suzuki and Sonogashira cross-coupling reactions.

  DOI：

  10.3987/com-08-11482

文献信息

• Diversity-Oriented Synthesis of Substituted Pyrazolo[4,3-d][1,2,3]triazin-4-ones
  作者：Daniel Meibom、Marcus Bauser、Heinrich Meier、Dirk Schneider、Niels Svenstrup、Dieter Haebich

  DOI：10.3987/com-08-11482

  日期：——

  An efficient synthesis of 3,7-disubstituted 3,5-dihydro-4H-pyrazolo[4,3-d][1,2,3]triazin-4-ones (2), especially suited for late-stage decoration, is described. Diverse 3-benzyl analogs were obtained by amidation-cyclization in one pot and various pyrazolotriazinone-7-bromides were employed in Suzuki and Sonogashira cross-coupling reactions.