1-(2-fluoro-pyridin-3-yl)-2-phenoxy-ethanone | 214760-03-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-fluoro-pyridin-3-yl)-2-phenoxy-ethanone
• 英文别名: 1-(2-Fluoropyridin-3-yl)-2-phenoxyethanone
• CAS: 214760-03-9
• 化学式: C₁₃H₁₀FNO₂
• 分子量: 231.226
• InChiKey: SHECGTRAUFMVFB-UHFFFAOYSA-N

物化性质

• 熔点：
  79-80 °C
• 沸点：
  393.999±32.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.238±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-fluoro-pyridin-3-yl)-2-phenoxy-ethanone 在 肼 、 水 作用下， 以 水 、 异丙醇 、 乙酸乙酯 为溶剂， 反应 15.0h， 以89%的产率得到3-(phenoxymethyl)-1H-pyrazolo[3,4-b]pyridine
  参考文献：
  名称：

  Expedient Synthesis of 3-Alkoxymethyl- and 3-Aminomethyl-Pyrazolo[3,4-b]pyridines

  摘要：

  An effective strategy has been developed for the preparation of 3-alkoxymethyl-pyrazolo[3,4-b]pyridines, compounds that are currently not readily accessible by existing synthetic methods. Further manipulation of these compounds allows for access to 3-alkoxymethyl-pyrazolo[3,4-b]pyridines with a variety of substitution patterns as well as 3-aminomethyl-pyrazolo[3,4-b]pyridines.

  DOI：

  10.1021/jo802363q
• 作为产物：
  描述：

  2-氟吡啶 、 (N-甲氧基-n-甲基氨基甲酰甲基)苯氧基甲烷 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 以71%的产率得到1-(2-fluoro-pyridin-3-yl)-2-phenoxy-ethanone
  参考文献：
  名称：

  Expedient Synthesis of 3-Alkoxymethyl- and 3-Aminomethyl-Pyrazolo[3,4-b]pyridines

  摘要：

  An effective strategy has been developed for the preparation of 3-alkoxymethyl-pyrazolo[3,4-b]pyridines, compounds that are currently not readily accessible by existing synthetic methods. Further manipulation of these compounds allows for access to 3-alkoxymethyl-pyrazolo[3,4-b]pyridines with a variety of substitution patterns as well as 3-aminomethyl-pyrazolo[3,4-b]pyridines.

  DOI：

  10.1021/jo802363q

文献信息

• US6380218B1
  申请人：——

  公开号：US6380218B1

  公开（公告）日：2002-04-30
• Expedient Synthesis of 3-Alkoxymethyl- and 3-Aminomethyl-Pyrazolo[3,4-<i>b</i>]pyridines
  作者：Gregory L. Beutner、Jeffrey T. Kuethe、Mary M. Kim、Nobuyoshi Yasuda

  DOI：10.1021/jo802363q

  日期：2009.1.16

  An effective strategy has been developed for the preparation of 3-alkoxymethyl-pyrazolo[3,4-b]pyridines, compounds that are currently not readily accessible by existing synthetic methods. Further manipulation of these compounds allows for access to 3-alkoxymethyl-pyrazolo[3,4-b]pyridines with a variety of substitution patterns as well as 3-aminomethyl-pyrazolo[3,4-b]pyridines.