4-(4-isopropylphenyl)-2-phenylcarbamoylmethylsulfanyl-6,7-dihydro-5H-[1]pyrindine-3-carbonitrile | 536720-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-isopropylphenyl)-2-phenylcarbamoylmethylsulfanyl-6,7-dihydro-5H-[1]pyrindine-3-carbonitrile
• 英文别名: 2-({3-Cyano-4-[4-(propan-2-YL)phenyl]-5H,6H,7H-cyclopenta[B]pyridin-2-YL}sulfanyl)-N-phenylacetamide；2-[[3-cyano-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-phenylacetamide
• CAS: 536720-28-2
• 化学式: C₂₆H₂₅N₃OS
• mdl: MFCD03765165
• 分子量: 427.57
• InChiKey: OCSVRSQSNVXWFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  91.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-isopropylphenyl)-2-phenylcarbamoylmethylsulfanyl-6,7-dihydro-5H-[1]pyrindine-3-carbonitrile 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以59%的产率得到3-amino-4-(4-isopropylphenyl)-N-phenyl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
  参考文献：
  名称：

  Cross-recyclization of 4-aryl-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 1-morpholino-1-cyclopentene: New route to 4-aryl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitriles and their derivatives

  摘要：

  Reaction of 4-aryi-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 1-morpholino-4-cyclopentene led to the formation of 4-aryl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitriles used in the synthesis of substituted 2-alkylsulfanyl-4-aryl-6,7-dihydro-5H-[1]pyrindine-3-carbonitriles and 3-amino-4-aryl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridines.

  DOI：

  10.1134/s1070428007020212
• 作为产物：
  描述：

  2,6-diamino-4-(4-isopropylphenyl)-4H-thiopyran-3,5-dicarbonitrile 在 氢氧化钾 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 4-(4-isopropylphenyl)-2-phenylcarbamoylmethylsulfanyl-6,7-dihydro-5H-[1]pyrindine-3-carbonitrile
  参考文献：
  名称：

  Cross-recyclization of 4-aryl-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 1-morpholino-1-cyclopentene: New route to 4-aryl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitriles and their derivatives

  摘要：

  Reaction of 4-aryi-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 1-morpholino-4-cyclopentene led to the formation of 4-aryl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitriles used in the synthesis of substituted 2-alkylsulfanyl-4-aryl-6,7-dihydro-5H-[1]pyrindine-3-carbonitriles and 3-amino-4-aryl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridines.

  DOI：

  10.1134/s1070428007020212

文献信息

• Cross-recyclization of 4-aryl-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 1-morpholino-1-cyclopentene: New route to 4-aryl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitriles and their derivatives
  作者：V. D. Dyachenko、A. D. Dyachenko

  DOI：10.1134/s1070428007020212

  日期：2007.2

  Reaction of 4-aryi-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 1-morpholino-4-cyclopentene led to the formation of 4-aryl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitriles used in the synthesis of substituted 2-alkylsulfanyl-4-aryl-6,7-dihydro-5H-[1]pyrindine-3-carbonitriles and 3-amino-4-aryl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridines.