10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one | 17296-50-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one
• 英文别名: 10-Ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one；5-ethylbenzo[b][1,4]benzoxazepin-6-one
• CAS: 17296-50-3
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.274
• InChiKey: MRBRHCRUXKHKKI-UHFFFAOYSA-N

物化性质

• 熔点：
  92-95 °C
• 沸点：
  381.93°C (rough estimate)
• 密度：
  1.1198 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-乙基-2-羟基苯甲酰胺 、 1-氟-2-硝基苯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以50%的产率得到10-ethyldibenzo[b,f][1,4]oxazepin-11(10H)-one
  参考文献：
  名称：

  Regioselective Synthesis of Fused Oxazepinone Scaffolds through One-Pot Smiles Rearrangement Tandem Reaction

  摘要：

  The paper describes a convenient and facile methodology for the regioselective synthesis of fused oxazepinone scaffolds. This process is an efficient construction of the oxazepinone scaffold by a one-pot coupling/Smiles rearrangement/cyclization approach. This transition metal-free process has potential applications in the synthesis of biologically and medicinally relevant compounds.

  DOI：

  10.1021/co2001058

文献信息

• SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS
  申请人：Smil David

  公开号：US20070293530A1

  公开（公告）日：2007-12-20

  This invention relates to compounds for the inhibition of histone deacetylase. More particularly, the invention provides for compounds of formula (I), and racemic and scalemic mixtures, diastereomers and enantiomers thereof: or an N-oxide, hydrate, solvate, pharmaceutically acceptable salt, prodrug or complex thereof, wherein Y, L, Z, W, M, R a , R b and R c are as defined in the specification.

  这项发明涉及用于抑制组蛋白去乙酰化酶的化合物。更具体地，该发明提供了符合式(I)的化合物，以及它们的外消旋和内消旋混合物、非对映体和对映体： 或其N-氧化物、水合物、溶剂合物、药学上可接受的盐、前药或其复合物，其中Y、L、Z、W、M、R a 、R b 和R c 如规范中所定义。
• Regioselective Synthesis of Fused Oxazepinone Scaffolds through One-Pot Smiles Rearrangement Tandem Reaction
  作者：Yanli Liu、Chunxiao Chu、Aiping Huang、Chunjing Zhan、Ying Ma、Chen Ma

  DOI：10.1021/co2001058

  日期：2011.9.12

  The paper describes a convenient and facile methodology for the regioselective synthesis of fused oxazepinone scaffolds. This process is an efficient construction of the oxazepinone scaffold by a one-pot coupling/Smiles rearrangement/cyclization approach. This transition metal-free process has potential applications in the synthesis of biologically and medicinally relevant compounds.