6-cyclohexylamido-3-p-chlorophenyl-5-phenylcyclohex-2-enone | 933769-87-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-cyclohexylamido-3-p-chlorophenyl-5-phenylcyclohex-2-enone
• CAS: 933769-87-0
• 化学式: C₂₅H₂₆ClNO₂
• 分子量: 407.94
• InChiKey: IDQHARMJGXZBHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.55
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.17
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-cyclohexylamido-3-p-chlorophenyl-5-phenylcyclohex-2-enone 在 吡啶 、 碳酸氢铵 、 sodium iodide 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 26.0h， 生成 2,3,6,7-tetrahydro-1H-4-cyclohexyl-6-phenyl-8-p-chlorophenyl-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：

  4-(4-Chloro-phenyl)-2-oxo-6-phenyl-cyclohex-3-enecarboxylic acid ethyl ester 、 环己胺 在 三乙胺 作用下， 以 对二甲苯 为溶剂， 反应 6.0h， 以77%的产率得到6-cyclohexylamido-3-p-chlorophenyl-5-phenylcyclohex-2-enone
  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