5-Amino-1-(3-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid | 1026038-51-6

• 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-Amino-1-(3-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid
• 英文别名: 5-Amino-1-(3-fluorophenyl)triazole-4-carboxylic acid
• CAS: 1026038-51-6
• 化学式: C₉H₇FN₄O₂
• 分子量: 222.179
• InChiKey: YROOWVZECPKHST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Amino-1-(3-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid 在 氯化亚砜 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 5-Amino-1-(3-fluoro-phenyl)-1H-[1,2,3]triazole-4-carbonyl chloride
  参考文献：
  名称：

  Chiral (S)‐(+) 1‐Substituted Aryl‐4‐(1‐phenyl) Ethylformamido‐5‐amino‐1,2,3‐triazole: A New Class of Chiral Ligands for the Silver(I)‐Promoted Enantioselective Allylation of Aldehydes

  摘要：

  Some novel chiral ligands, (S)-(+) 1-substituted aryl-4-(1-phenyl) ethylformamido-5-amino-1,2,3-triazoles, were prepared starting from 1-substituted aryl-4-ethoxycarbonyl-5-amino-1,2,3-triazoles and other reagents. They were used as catalytic chiral ligands in the silver (I)-promoted enantioselective allylation reaction of aldehydes with allyltributyltin.

  DOI：

  10.1080/00397910500503595
• 作为产物：
  描述：

  5-amino-1-(3-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 5-Amino-1-(3-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid
  参考文献：
  名称：

  Chiral (S)‐(+) 1‐Substituted Aryl‐4‐(1‐phenyl) Ethylformamido‐5‐amino‐1,2,3‐triazole: A New Class of Chiral Ligands for the Silver(I)‐Promoted Enantioselective Allylation of Aldehydes

  摘要：

  Some novel chiral ligands, (S)-(+) 1-substituted aryl-4-(1-phenyl) ethylformamido-5-amino-1,2,3-triazoles, were prepared starting from 1-substituted aryl-4-ethoxycarbonyl-5-amino-1,2,3-triazoles and other reagents. They were used as catalytic chiral ligands in the silver (I)-promoted enantioselective allylation reaction of aldehydes with allyltributyltin.

  DOI：

  10.1080/00397910500503595