2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile | 312275-27-7

• 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-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• 英文别名: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
• CAS: 312275-27-7
• 化学式: C₂₇H₂₆N₄OS
• 分子量: 454.596
• InChiKey: CCUBNZBODKCXQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 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-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-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， 反应 8.0h， 以91%的产率得到8-amino-2,2-dimethyl-4-oxo-5-phenyl-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， 反应 5.33h， 生成 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-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

文献信息

• ——
  作者：B. V. Lichitsky、S. N. Ivanov、A. A. Dudinov、S. A. Woznesensky、M. M. Krayushkin

  DOI：10.1023/a:1015056117968

  日期：——

  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.