methyl 1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylate | 1210041-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: methyl 1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylate
• 英文别名: Methyl 1,3-dihydro-3-oxobenzo-[c]oxepine-4-carboxylate；methyl 3-oxo-1H-2-benzoxepine-4-carboxylate
• CAS: 1210041-83-0
• 化学式: C₁₂H₁₀O₄
• 分子量: 218.209
• InChiKey: KBVVLJVYKZNHBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-dibromo-1-phenylpropan-1-one 、 methyl 1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylate 在 mercury dichloride 、 锌 作用下， 以 六甲基磷酰三胺 、 苯 为溶剂， 反应 3.0h， 以45%的产率得到methyl 1-benzoyl-1-methyl-2-oxo-4,8b-dihydro-1H-3-oxabenzo[a]cyclopropa[c]cycloheptene-1a-carboxylate
  参考文献：
  名称：

  Interaction of zinc enolates prepared from 1-aryl-2,2-dibromoalkanones and zinc with alkyl 3-oxo-1,3-dihydrobenzo[c]oxepine-4-carboxylates

  摘要：

  Zinc enolates obtained from substituted 1-aryl-2,2-dibromoalkanones and zinc react with alkyl 3-oxo-1,3-dihydrobenzo[c]oxepine-4-carboxylate to give the alkyl 1-alkyl-1-aroyl-2-oxo-4,8b-dihydro-1H-3-oxabenzo[a]cyclopropa[c]cycloheptene-1a-carboxylate.

  DOI：

  10.1134/s1070363209090151
• 作为产物：
  描述：

  dimethyl 2-(2-(bromomethyl)benzylidene)malonate 反应 1.0h， 以77%的产率得到methyl 1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylate
  参考文献：
  名称：

  Synthesis of alkyl-1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylates

  摘要：

  Alkyl-1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylates were obtained by bromination of dialkyl-2-(2-methylbenzylidene)malonates with N-bromosuccinimide followed by the cyclization of dialkyl-2-(2-bromomethylbenzylidene) malonates.

  DOI：

  10.1134/s1070428010020120

文献信息

• Interaction of zinc enolates prepared from 1-aryl-2,2-dibromoalkanones and zinc with alkyl 3-oxo-1,3-dihydrobenzo[c]oxepine-4-carboxylates
  作者：A. A. Glukhov、N. F. Kirillov、S. N. Shurov、M. I. Vakhrin、O. A. Maiorova

  DOI：10.1134/s1070363209090151

  日期：2009.9

  Zinc enolates obtained from substituted 1-aryl-2,2-dibromoalkanones and zinc react with alkyl 3-oxo-1,3-dihydrobenzo[c]oxepine-4-carboxylate to give the alkyl 1-alkyl-1-aroyl-2-oxo-4,8b-dihydro-1H-3-oxabenzo[a]cyclopropa[c]cycloheptene-1a-carboxylate.
• Synthesis of alkyl-1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylates
  作者：A. A. Glukhov、N. F. Kirillov

  DOI：10.1134/s1070428010020120

  日期：2010.2

  Alkyl-1,3-dihydro-3-oxobenzo[c]oxepine-4-carboxylates were obtained by bromination of dialkyl-2-(2-methylbenzylidene)malonates with N-bromosuccinimide followed by the cyclization of dialkyl-2-(2-bromomethylbenzylidene) malonates.