11-([1,1'-biphenyl]-4-yl)-3,3-dimethyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]oxazepin-1(2H)-one | 1433704-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11-([1,1'-biphenyl]-4-yl)-3,3-dimethyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]oxazepin-1(2H)-one
• 英文别名: 9,9-Dimethyl-6-(4-phenylphenyl)-6,8,10,11-tetrahydrobenzo[c][1,5]benzoxazepin-7-one；9,9-dimethyl-6-(4-phenylphenyl)-6,8,10,11-tetrahydrobenzo[c][1,5]benzoxazepin-7-one
• CAS: 1433704-68-7
• 化学式: C₂₇H₂₅NO₂
• 分子量: 395.501
• InChiKey: VZDILVSYCRUZFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3-环己二酮 、 2-氨基苯酚 、 对苯基苯甲醛 在 三氟乙酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 28.0h， 以65%的产率得到11-([1,1'-biphenyl]-4-yl)-3,3-dimethyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]oxazepin-1(2H)-one
  参考文献：
  名称：

  A one-pot three-component reaction providing tricyclic 1,4-benzoxazepine derivatives

  摘要：

  A new one-pot, three-component reaction of aromatic aldehydes, 2-aminophenol, and dimedone for the synthesis of tricyclic 1,4-benzoxazepine derivatives in moderate to good yields is described. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.131

文献信息

• Deep eutectic solvent as a highly efficient reaction media for the one-pot synthesis of benzo-fused seven-membered heterocycles
  作者：Ahmad Shaabani、Seyyed Emad Hooshmand、Mohammad Taghi Nazeri、Ronak Afshari、Shima Ghasemi

  DOI：10.1016/j.tetlet.2016.07.005

  日期：2016.8

  applied to the synthesis of benzo-fused seven-membered heterocycles, including tricyclic 1,4-benzodiazepines and 1,4-benzoxazepines, via a one-pot, three-component reaction. The reaction conditions are relatively mild and do not require additional metals, acid catalysts, or organic solvents. The protocol has the advantages of excellent yields in short reaction times, an easy workup procedure, and being

  氯化胆碱和尿素作为一种低共熔溶剂的组合已通过一锅三组分应用于合成苯并稠合的七元杂环，包括三环1,4-苯并二氮杂卓和1,4-苯并氮杂卓反应。反应条件相对温和，不需要其他金属，酸催化剂或有机溶剂。该方案的优点是：反应时间短，收率高，后处理步骤简单，环境友好。
• A one-pot three-component reaction providing tricyclic 1,4-benzoxazepine derivatives
  作者：Mehdi Ghandi、Tayebeh Momeni、Mohammad Taghi Nazeri、Nahid Zarezadeh、Maciej Kubicki

  DOI：10.1016/j.tetlet.2013.03.131

  日期：2013.6

  A new one-pot, three-component reaction of aromatic aldehydes, 2-aminophenol, and dimedone for the synthesis of tricyclic 1,4-benzoxazepine derivatives in moderate to good yields is described. (C) 2013 Elsevier Ltd. All rights reserved.