2-benzyl-8-methoxy-4-methyl-1,2,4,5-tetrahydrobenzo[c]azepin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2-benzyl-8-methoxy-4-methyl-1,2,4,5-tetrahydrobenzo[c]azepin-3-one
• 英文别名: 2-benzyl-8-methoxy-4-methyl-4,5-dihydro-1H-2-benzazepin-3-one
• 化学式: C₁₉H₂₁NO₂
• 分子量: 295.381
• InChiKey: XSTNHBCYTYRNIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 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：

  2-溴-5-甲氧基苯甲醛 在 4-二甲氨基吡啶 、 偶氮二异丁腈 、 三正丁基氢锡 、 sodium cyanoborohydride 、 溶剂黄146 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 苯 为溶剂， 反应 15.0h， 生成 2-benzyl-8-methoxy-4-methyl-1,2,4,5-tetrahydrobenzo[c]azepin-3-one
  参考文献：
  名称：

  Convenient Synthesis of 2-Benzazepines via Radical Cyclization

  摘要：

  Synthesis of 2-benzazepines was readily achieved via 7-endo radical cyclization of N-o-bromobenzylitaconamides or N-o-bromobenzylmethacrylamides which were prepared in two steps from commercially available benzaldehydes, amines, and alpha,beta-unsaturated acids.

  DOI：

  10.1021/jo030052h

文献信息

• An efficient preparation of N-alkyl-2-benzazepine derivatives and investigation of their biological activity
  作者：Akio Kamimura、Masahiro So、Tomohiro Kuratani、Kenji Matsuura、Makoto Inui

  DOI：10.1016/j.bmcl.2009.04.117

  日期：2009.6

  N-Alkyl-2-benzazepine derivatives are readily prepared through N-alkylation of secondary 2-benzazepines that are constructed via 7-endo selective cyclization of radical cyclization of N-boc-N-(2-bromo5-methoxyphenylmethyl) methacrylamides. The structure and activity relationship of these derivatives are examined. (C) 2009 Elsevier Ltd. All rights reserved.
• Convenient Synthesis of 2-Benzazepines via Radical Cyclization
  作者：Akio Kamimura、Yohei Taguchi、Yoji Omata、Masahiko Hagihara

  DOI：10.1021/jo030052h

  日期：2003.6.1

  Synthesis of 2-benzazepines was readily achieved via 7-endo radical cyclization of N-o-bromobenzylitaconamides or N-o-bromobenzylmethacrylamides which were prepared in two steps from commercially available benzaldehydes, amines, and alpha,beta-unsaturated acids.