7,7-dimethyl-3-phenyl-5,6-dihydro-4H-oxazepine | 1024596-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: 7,7-dimethyl-3-phenyl-5,6-dihydro-4H-oxazepine
• CAS: 1024596-47-1
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: HFPXNHPOGDHVIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-methyl-1-phenylhex-4-en-1-one oxime 在 aluminium(III) triflate 作用下， 以 硝基甲烷 为溶剂， 反应 12.0h， 以80%的产率得到7,7-dimethyl-3-phenyl-5,6-dihydro-4H-oxazepine
  参考文献：
  名称：

  Aluminium triflate-catalysed regioselective cycloisomerisation of non-activated unsaturated oximes

  摘要：

  A novel cycloisomerisation of oximes bearing non-activated C-C double bonds occurs in an Al(III)-catalysed reaction. This process leads to 5-,6- and 7-membered ring oxygen and nitrogen-containing heterocycles in good yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.070

文献信息

• Aluminium triflate-catalysed regioselective cycloisomerisation of non-activated unsaturated oximes
  作者：Xavier Chaminade、Shunsuke Chiba、Koichi Narasaka、Elisabet Dunach

  DOI：10.1016/j.tetlet.2008.02.070

  日期：2008.4

  A novel cycloisomerisation of oximes bearing non-activated C-C double bonds occurs in an Al(III)-catalysed reaction. This process leads to 5-,6- and 7-membered ring oxygen and nitrogen-containing heterocycles in good yields. (C) 2008 Elsevier Ltd. All rights reserved.