1H-azepine-4(5H)-one | 1148179-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1H-azepine-4(5H)-one
• 英文别名: 1,4-Dihydroazepin-5-one
• CAS: 1148179-21-8
• 化学式: C₆H₇NO
• mdl: MFCD19227775
• 分子量: 109.128
• InChiKey: MSTGJKREXVCXLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(trimethylsilyl)ethyl 5-oxo-2,5-dihydro-1H-azepine-1-carboxylate 在 cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以96%的产率得到1H-azepine-4(5H)-one
  参考文献：
  名称：

  On the preparation of azepinones

  摘要：

  We report here a simple and efficient preparation of 1H-azepin-5(2H)-ones and their unexpectedly facile isomerization to 1H-azepin-5(4H)-ones under mildly basic reaction conditions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.003

文献信息

• Isoxazolobenzoxazepines, a process for their preparation and their use as medicaments
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0353631A2

  公开（公告）日：1990-02-07

  The present invention relates to isoxazolobenzoxazepine derivatives and a process for their preparation. The compounds show analgesic activities and can, therefore be used as medicaments.

  本发明涉及异恶唑苯并氧氮杂卓衍生物及其制备方法。这些化合物具有镇痛活性，因此可用作药物。
• Pyranones useful as ATM inhibitors
  申请人：Kudos Pharmaceuticals Limited

  公开号：EP2174939A1

  公开（公告）日：2010-04-14

  The application concerns a compound of formula Ia: and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, wherein: Y is O; R1 and R2 together form, along with the nitrogen atom to which they are attached, an optionally substituted heterocyclic ring having from 6 ring atoms; R3 is wherein one of the phenyl rings in R3 bear a substituent selected from the group consisting of acylamido, sulfonamino, ether, ester, amido and acyl.

  本申请涉及一种 式 Ia 的化合物： 及其异构体、盐类、溶液剂、化学保护形式和原药，其中 Y 是 O； R1 和 R2 与它们所连接的氮原子一起形成一个有 6 个环原子的任选取代的杂环； R3 是 其中 R3 中的一个苯基环带有选自酰氨基、磺氨基、醚、酯、氨基和酰基的取代基。
• PYRANONES USEFUL AS ATM INHIBITORS
  申请人：Kudos Pharmaceuticals Limited

  公开号：EP1485377B1

  公开（公告）日：2009-12-09
• MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF
  申请人：AbbVie Inc.

  公开号：EP2571353A1

  公开（公告）日：2013-03-27
• [EN] MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DES RÉCEPTEURS 5-HT ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2011146089A1

  公开（公告）日：2011-11-24

  The present application relates to aryl- and heteroaryl-fused decahydropyrroloazepine, octahydrooxepinopyrrole, octahydropyrrolothiazepine dioxide, decahydrocyclohepta[c]pyrrole, and octahydrocyclohepta[c]pyrrole derivatives of formula (I) wherein R1, R2, R3, R4, R5, A, Y1, Y2, and Y3 are as defined in the specification. The present application also relates to compositions comprising such compounds, processes for making such compounds, and methods of treating disease conditions using such compounds and compositions, and methods for identifying such compounds.