1-(6-chloro-2-fluoro-pyridin-3-yl)-2-(4-methoxy-phenoxy)-ethanone | 1095223-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(6-chloro-2-fluoro-pyridin-3-yl)-2-(4-methoxy-phenoxy)-ethanone
• 英文别名: 1-(6-Chloro-2-fluoropyridin-3-yl)-2-(4-methoxyphenoxy)ethanone
• CAS: 1095223-53-2
• 化学式: C₁₄H₁₁ClFNO₃
• 分子量: 295.698
• InChiKey: SYOAXXVCUFQWEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(6-chloro-2-fluoro-pyridin-3-yl)-2-(4-methoxy-phenoxy)-ethanone 在 肼 作用下， 以 水 、 异丙醇 为溶剂， 反应 1.0h， 以97%的产率得到6-chloro-3-(4-methoxy-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-氯-6-氟吡啶 、 N-methoxy-2-(4-methoxyphenoxy)-N-methylacetamide 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 以31%的产率得到1-(6-chloro-2-fluoro-pyridin-3-yl)-2-(4-methoxy-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

• 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.