6-(4-Methoxy-phenyl)-2-oxo-4-phenyl-cyclohex-3-enecarboxylic acid (2-chloro-acetyl)-cyclohexyl-amide | 933769-94-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(4-Methoxy-phenyl)-2-oxo-4-phenyl-cyclohex-3-enecarboxylic acid (2-chloro-acetyl)-cyclohexyl-amide
• CAS: 933769-94-9
• 化学式: C₂₈H₃₀ClNO₄
• 分子量: 480.003
• InChiKey: BWFXWEABWLVRLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  63.68
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-(4-Methoxy-phenyl)-2-oxo-4-phenyl-cyclohex-3-enecarboxylic acid (2-chloro-acetyl)-cyclohexyl-amide 在 碳酸氢铵 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以71%的产率得到2,3,6,7-tetrahydro-1H-4-cyclohexyl-6-p-methoxyphenyl-8-phenyl-1,4-benzodiazepine-3,5-dione
  参考文献：
  名称：

  1,4-Diazepines Bearing Thieno(2,3-b)Thiophene and Cyclohexene Carboxylate Moieties

  摘要：

  Bis[thieno(3,2-b)-1,4-diazepine] (4) and bis[imidazo(1',2')thieno(3,2-b)-1,4-diazepine (7) derivatives were prepared starting with thieno(2,3-b)thiophenes (1) and (2), respectively. Also, benzodiazepine derivatives (11a-f) were prepared via a reaction of cyclohexenone carboxylates (8a-f) with cyclohexylamine and chloroacetyl chloride followed by cyclization. Also, dibenzoazepines (13) and (14a,b) were prepared via a reaction of (8a) with o-phenylenediamine and o-aminophenol or o-aminothiophenol.

  DOI：

  10.1080/10426500500366350
• 作为产物：
  描述：

  ethyl 2-oxo-6-(4-methoxyphenyl)-4-phenyl-3-cyclohexene-1-carboxylate 在 吡啶 、 三乙胺 作用下， 以 氯仿 、 对二甲苯 为溶剂， 反应 8.0h， 生成 6-(4-Methoxy-phenyl)-2-oxo-4-phenyl-cyclohex-3-enecarboxylic acid (2-chloro-acetyl)-cyclohexyl-amide
  参考文献：
  名称：

  1,4-Diazepines Bearing Thieno(2,3-b)Thiophene and Cyclohexene Carboxylate Moieties

  摘要：

  Bis[thieno(3,2-b)-1,4-diazepine] (4) and bis[imidazo(1',2')thieno(3,2-b)-1,4-diazepine (7) derivatives were prepared starting with thieno(2,3-b)thiophenes (1) and (2), respectively. Also, benzodiazepine derivatives (11a-f) were prepared via a reaction of cyclohexenone carboxylates (8a-f) with cyclohexylamine and chloroacetyl chloride followed by cyclization. Also, dibenzoazepines (13) and (14a,b) were prepared via a reaction of (8a) with o-phenylenediamine and o-aminophenol or o-aminothiophenol.

  DOI：

  10.1080/10426500500366350