3-thioxo-N,1-diphenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide | 1427057-77-9

• 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: 3-thioxo-N,1-diphenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
• 英文别名: N,1-diphenyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxamide
• CAS: 1427057-77-9
• 化学式: C₂₂H₂₀N₂OS
• 分子量: 360.48
• InChiKey: MOLSZCZQRUWBIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-thioxo-N,1-diphenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide 、 丙烯腈 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以69%的产率得到N,1-diphenyl-3-(2-cyanoethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
  参考文献：
  名称：

  Synthesis and alkylation of new 3-functionally substituted carbo[c]fused pyridin-2-ones(thiones)

  摘要：

  By condensation of 2-acyl-1-(morpholin-4-yl)cycloalkenes with CH-acids new 3-functuinally substituted carbo[c]fused pyridin-2-ones(thiones) were synthesized. N, 1-Diphenyl-5, 6, 7, 8-tetrahydroisoquinoline-3-thione under the action of acrylonitrile and alkyl halides suffered a selective S-alkylation.

  DOI：

  10.1134/s1070428013020139
• 作为产物：
  描述：

  2-(硫代氨基甲酰)-乙酰苯胺 、 1-Morpholino-2-benzoyl-cyclohexen 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以70%的产率得到3-thioxo-N,1-diphenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
  参考文献：
  名称：

  Synthesis and alkylation of new 3-functionally substituted carbo[c]fused pyridin-2-ones(thiones)

  摘要：

  By condensation of 2-acyl-1-(morpholin-4-yl)cycloalkenes with CH-acids new 3-functuinally substituted carbo[c]fused pyridin-2-ones(thiones) were synthesized. N, 1-Diphenyl-5, 6, 7, 8-tetrahydroisoquinoline-3-thione under the action of acrylonitrile and alkyl halides suffered a selective S-alkylation.

  DOI：

  10.1134/s1070428013020139

文献信息

• Synthesis and alkylation of new 3-functionally substituted carbo[c]fused pyridin-2-ones(thiones)
  作者：I. V. Dyachenko、M. V. Vovk

  DOI：10.1134/s1070428013020139

  日期：2013.2

  By condensation of 2-acyl-1-(morpholin-4-yl)cycloalkenes with CH-acids new 3-functuinally substituted carbo[c]fused pyridin-2-ones(thiones) were synthesized. N, 1-Diphenyl-5, 6, 7, 8-tetrahydroisoquinoline-3-thione under the action of acrylonitrile and alkyl halides suffered a selective S-alkylation.