5-(2-fluorobenzoyl)-1-hydroxy-1,2,3-triazole | 445411-81-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(2-fluorobenzoyl)-1-hydroxy-1,2,3-triazole
• 英文别名: (2-Fluorophenyl)-(3-hydroxytriazol-4-yl)methanone；(2-fluorophenyl)-(3-hydroxytriazol-4-yl)methanone
• CAS: 445411-81-4
• 化学式: C₉H₆FN₃O₂
• 分子量: 207.164
• InChiKey: WZTGHCKHEXFDMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 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：
  68
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(2-fluorobenzoyl)-1-hydroxy-1,2,3-triazole 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以98%的产率得到9-oxa-1,2,9a-triazacyclopenta[b]naphthalen-4-one
  参考文献：
  名称：

  Synthesis of novel azaxanthones derived from N-hydroxyazoles

  摘要：

  The synthesis of a new class of azaxanthones is presented. The N-O functionality of 1-hydroxypyrazole and 1-hydroxy-1,2,3-triazole was used to direct metalation and subsequently incorporated in the new ring systems. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00034-0
• 作为产物：
  描述：

  邻氟苯甲酰氯 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 5-(2-fluorobenzoyl)-1-hydroxy-1,2,3-triazole
  参考文献：
  名称：

  Synthesis of novel azaxanthones derived from N-hydroxyazoles

  摘要：

  The synthesis of a new class of azaxanthones is presented. The N-O functionality of 1-hydroxypyrazole and 1-hydroxy-1,2,3-triazole was used to direct metalation and subsequently incorporated in the new ring systems. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00034-0

文献信息

• Synthesis of novel azaxanthones derived from N-hydroxyazoles
  作者：Jesper L Kristensen、Per Vedsø、Mikael Begtrup

  DOI：10.1016/s0040-4020(02)00034-0

  日期：2002.3

  The synthesis of a new class of azaxanthones is presented. The N-O functionality of 1-hydroxypyrazole and 1-hydroxy-1,2,3-triazole was used to direct metalation and subsequently incorporated in the new ring systems. (C) 2002 Published by Elsevier Science Ltd.