2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)ethanone | 735265-01-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)ethanone
• 英文别名: 2-(4-methoxyphenyl)-1-(6-methoxypyridin-3-yl)ethanone
• CAS: 735265-01-7
• 化学式: C₁₅H₁₅NO₃
• 分子量: 257.289
• InChiKey: MCNXNIPXKASFBY-UHFFFAOYSA-N

物化性质

• 沸点：
  428.0±35.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)ethanone 在 ammonium hydroxide 、 potassium tert-butylate 、 溶剂黄146 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 5-chloro-6'-methoxy-3-(4-methoxy-phenyl)-[2,3']bipyridinyl
  参考文献：
  名称：

  Annulation of Ketones with Vinamidinium Hexafluorophosphate Salts:  An Efficient Preparation of Trisubstituted Pyridines

  摘要：

  [GRAPHICS]alpha-Aryl ketones react with vinamidinium hexafluorophosphate salts to give access to the corresponding 3-arylpyridines, The annulation reactions proceed in good to excellent yields with vinamidinium salts containing electron-withdrawing groups at the beta-position (R-2). The reaction was applied to the preparation of the COX-2 specific inhibitor 5-chloro-3-(4-methylsulfonyl)phenyl-2-(2-methyl-5-pyridynl)pyridine (1), as well as a series of analogues.

  DOI：

  10.1021/ol006097b
• 作为产物：
  描述：

  1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)ethanone 、 sodium methylate 以 甲醇 为溶剂， 反应 3.0h， 以82%的产率得到2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)ethanone
  参考文献：
  名称：

  Inhibitor of cox

  摘要：

  一种具有以下式（I）的化合物：其中R1是环烷基等；R2是（较低）烷氧基等；R3是（较低）烷基烯基等；R4是（较低）烷基烯基等；R5是羟基等；X为“O”、“S”、“SO”或“SO2”；Y为“CH”或“N”；n为0或1；或其药学上可接受的盐，可用作药物。

  公开号：

  US20040157891A1

文献信息

• Inhibitor of cox
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：US20040157891A1

  公开（公告）日：2004-08-12

  A compound of the formula (I): 1 wherein R 1 is cycloalkyl, etc; R 2 is (lower)alkoxy, etc; R 3 is (lower)alkylene, etc; R 4 is (lower)alkylene, etc; R 5 is hydroxy, etc; X is “O”, “S”, “SO”, or “SO 2 ”; Y is “CH” or “N”; n is 0 or 1; or pharmaceutically acceptable salts thereof, which are useful as a medicament.

  一种具有以下式（I）的化合物：其中R1是环烷基等；R2是（较低）烷氧基等；R3是（较低）烷基烯基等；R4是（较低）烷基烯基等；R5是羟基等；X为“O”、“S”、“SO”或“SO2”；Y为“CH”或“N”；n为0或1；或其药学上可接受的盐，可用作药物。
• OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE
  申请人：Astellas Pharma Inc.

  公开号：EP1583749A1

  公开（公告）日：2005-10-12
• [EN] OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE<br/>[FR] DERIVES D'OXAZOLE UTILISES COMME INHIBITEURS DE LA CYCLO-OXYGENASE
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2004065374A1

  公开（公告）日：2004-08-05

  A compound of the formula (I): wherein R1 is cycloalkyl, etc; R2 is (lower)alkoxy, etc; R3 is (lower)alkylene, etc; R4 is (lower)alkylene, etc; R5 is hydroxy, etc; X is '0', 'S', 'SO', or 'S02'; Y is 'CH' or 'N'; n is 0 or 1; or pharmaceutically acceptable salts thereof, which are useful as a medicament.

  其中R1是环烷基等；R2是（较低）烷氧基等；R3是（较低）烷基等；R4是（较低）烷基等；R5是羟基等；X是'0'，'S'，'SO'或'SO2'；Y是'CH'或'N'；n为0或1；或其药学上可接受的盐，可用作药物。
• Annulation of Ketones with Vinamidinium Hexafluorophosphate Salts:  An Efficient Preparation of Trisubstituted Pyridines
  作者：Jean-François Marcoux、Edward G. Corley、Kai Rossen、Phil Pye、Jimmy Wu、Michael A. Robbins、Ian W. Davies、Robert D. Larsen、Paul J. Reider

  DOI：10.1021/ol006097b

  日期：2000.7.1

  [GRAPHICS]alpha-Aryl ketones react with vinamidinium hexafluorophosphate salts to give access to the corresponding 3-arylpyridines, The annulation reactions proceed in good to excellent yields with vinamidinium salts containing electron-withdrawing groups at the beta-position (R-2). The reaction was applied to the preparation of the COX-2 specific inhibitor 5-chloro-3-(4-methylsulfonyl)phenyl-2-(2-methyl-5-pyridynl)pyridine (1), as well as a series of analogues.