3-(4-methoxyphenyl)-3,4-dihydrobenzo[f ][1,4]oxazepin-5(2H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(4-methoxyphenyl)-3,4-dihydrobenzo[f ][1,4]oxazepin-5(2H)-one
• 英文别名: 3-(4-methoxyphenyl)-3,4-dihydro-1,4-benzoxazepin-5(2H)-one；3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
• 化学式: C₁₆H₁₅NO₃
• 分子量: 269.3
• InChiKey: JGJMXBVOPVSDCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2-(4-methoxyphenyl)-2-oxoethoxy)benzamide 在 三乙基硅烷 、 aluminium(III) triflate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以70%的产率得到3-(4-methoxyphenyl)-3,4-dihydrobenzo[f ][1,4]oxazepin-5(2H)-one
  参考文献：
  名称：

  Synthesis of Dihydrobenzoheterocycles through Al(OTf)₃-Mediated Cascade Cyclization and Ionic Hydrogenation

  摘要：

  A facile and versatile synthesis of dihydrobenzoheterocycles via Al(OTf)(3)-mediated cascade cyclization and ionic hydrogenation has been developed. The reaction is applicable to a wide range of substrates with various functional groups to afford the corresponding products in good yields.

  DOI：

  10.1021/jo501824z

文献信息

• Synthesis of Dihydrobenzoheterocycles through Al(OTf)₃-Mediated Cascade Cyclization and Ionic Hydrogenation
  作者：Yulin Tian、Xiaojian Wang、Qiong Xiao、Chenbin Sun、Dali Yin

  DOI：10.1021/jo501824z

  日期：2014.10.17

  A facile and versatile synthesis of dihydrobenzoheterocycles via Al(OTf)(3)-mediated cascade cyclization and ionic hydrogenation has been developed. The reaction is applicable to a wide range of substrates with various functional groups to afford the corresponding products in good yields.