methyl 8-methoxy-4-methyl-3-oxo-1,3,4,5-tetrahydro-2H-benzo[c]azepine-2-carboxylate | 1173893-67-8

• 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: methyl 8-methoxy-4-methyl-3-oxo-1,3,4,5-tetrahydro-2H-benzo[c]azepine-2-carboxylate
• CAS: 1173893-67-8
• 化学式: C₁₄H₁₇NO₄
• 分子量: 263.293
• InChiKey: HNDYBSWRXMQBLI-UHFFFAOYSA-N

物化性质

• 沸点：
  446.3±45.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl 8-methoxy-4-methyl-3-oxo-1,3,4,5-tetrahydro-2H-benzo[c]azepine-2-carboxylate 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  An efficient preparation of N-alkyl-2-benzazepine derivatives and investigation of their biological activity

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2009.04.117
• 作为产物：
  描述：

  methyl N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methylprop-2-enoyl)carbamate 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 以49%的产率得到methyl 8-methoxy-4-methyl-3-oxo-1,3,4,5-tetrahydro-2H-benzo[c]azepine-2-carboxylate
  参考文献：
  名称：

  An efficient preparation of N-alkyl-2-benzazepine derivatives and investigation of their biological activity

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2009.04.117