2-amino-4-(4-chlorophenyl)-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile | 475478-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-amino-4-(4-chlorophenyl)-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• 英文别名: 2-Amino-4-(4-chlorophenyl)-1-(3-cyano-4,5,6,7-tetra-hydrobenzo[b]thien-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile；2-amino-4-(4-chlorophenyl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
• CAS: 475478-15-0
• 化学式: C₂₅H₂₁ClN₄OS
• 分子量: 460.987
• InChiKey: IOGSHUSIYSAUQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-amino-4-(4-chlorophenyl)-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 为溶剂， 生成 8-amino-5-(4-chlorophenyl)-4-oxo-1,3,4,5,9,10,11,12-octahydro-2H-benzo[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
  参考文献：
  名称：

  摘要：

  The reactions of cyclic enaminoketones with benzylidenemalonitriles were examined and a new procedure was developed for the synthesis of fused heterocyclic systems containing the 1,4-dihydropyridine ring, viz., thienopyrimidoquinolines and furopyrimidoquinolines. The characteristic features of the reactions and the Structures Of the resulting compounds were investigated.

  DOI：

  10.1023/a:1015056117968
• 作为产物：
  描述：

  2-氨基-3-腈基-4,5,6,7--四氢苯并[B]噻吩 在 哌啶 、 对甲苯磺酸 作用下， 以 乙醇 、 苯 为溶剂， 生成 2-amino-4-(4-chlorophenyl)-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
  参考文献：
  名称：

  摘要：

  The reactions of cyclic enaminoketones with benzylidenemalonitriles were examined and a new procedure was developed for the synthesis of fused heterocyclic systems containing the 1,4-dihydropyridine ring, viz., thienopyrimidoquinolines and furopyrimidoquinolines. The characteristic features of the reactions and the Structures Of the resulting compounds were investigated.

  DOI：

  10.1023/a:1015056117968