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4-isobutyl-2-(naphthalen-2-ylcarbonylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

中文名称
——
中文别名
——
英文名称
4-isobutyl-2-(naphthalen-2-ylcarbonylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
英文别名
4-isobutyl-2-[2-(2-naphthyl)-2-oxoethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;4-(2-Methylpropyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile;4-(2-methylpropyl)-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
4-isobutyl-2-(naphthalen-2-ylcarbonylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile化学式
CAS
——
化学式
C26H26N2OS
mdl
——
分子量
414.571
InChiKey
JUYVRGFUYFSKPO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    6.9
  • 重原子数:
    30
  • 可旋转键数:
    6
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.35
  • 拓扑面积:
    79
  • 氢给体数:
    0
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
    —— 4-isobutyl-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile 213203-87-3 C14H18N2S 246.376

反应信息

  • 作为产物:
    描述:
    4-Isobutyl-2-(2-naphthalen-2-yl-2-oxo-ethylsulfanyl)-1,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile 在 氧气 作用下, 以 乙醇 为溶剂, 以3.32 g的产率得到4-isobutyl-2-(naphthalen-2-ylcarbonylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
    参考文献:
    名称:
    Aliphatic aldehydes in multicomponent syntheses of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile
    摘要:
    The Knoevenagel condensation of aliphatic aldehydes with CH acids, malonodinitrile, cyanothioacetamide, cyclohexane-1,3-dione, dimedone, 4-hydroxycoumarin, 3-aminophenol, and N-(cyclohex-1-enyl)morpholine leads to formation of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile. The structure of the latter was proved by the X-ray diffraction data.
    DOI:
    10.1134/s1070428006040142
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文献信息

  • Synthesis of 4-alkyl(aryl, hetaryl)-2-thioxo-5,6,7,8-tetrahydroquinoline-3-carbonitriles and their derivatives by cross-recyclization of 4-alkyl(aryl, hetaryl)-2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 4-(cyclohex-1-en-1-yl)-morpholine, alkyl halides, and cyclohexanone
    作者:V. D. Dyachenko、A. D. Dyachenko
    DOI:10.1134/s1070428008030172
    日期:2008.3
    Cross recyclization of 4-substituted 2,6-diamino-4H-thiopyran-3,5-dicarbonitriles with 4-(cyclohex-1-en-1-yl)morpholine, alkyl halides, and cyclohexanone gave the corresponding substituted 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitriles, 2-alkylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitriles, 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamides, and 4-oxo-2,2-pentamethylene-1,2,3,4,7,8,9,10-octahydropyrimido[4′,5′:4,5]thieno[2,3-b]quinolines. The structure of 3-(4-bromophenyl)-2,2-pentamethylene-11-(2-thienyl)-1,2,3,4,7,8,9,10-octahydropyrimido[4′,5′:4,5]thieno[2,3-b]quinoline was proved by X-ray analysis.
    4-取代的2,6-二氨基-4H-噻吡啶-3,5-二腈与4-(环己烯-1-基)吗啉、烷基卤化物和环己酮进行交叉重环化反应,得到了相应的取代2-硫代-1,2,5,6,7,8-六氢喹啉-3-腈、2-烷基硫代-5,6,7,8-四氢喹啉-3-腈、3-氨基-5,6,7,8-四氢噻吡啶[2,3-b]喹啉-2-氨基甲酸酯,以及4-氧-2,2-戊五烯-1,2,3,4,7,8,9,10-八氢嘧啶[4′,5′:4,5]噻吡啶[2,3-b]喹啉。3-(4-溴苯基)-2,2-戊五烯-11-(2-噻吡啶基)-1,2,3,4,7,8,9,10-八氢嘧啶[4′,5′:4,5]噻吡啶[2,3-b]喹啉的结构通过X射线分析得到了证明。
  • Aliphatic aldehydes in multicomponent syntheses of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile
    作者:V. D. Dyachenko、A. N. Chernega
    DOI:10.1134/s1070428006040142
    日期:2006.4
    The Knoevenagel condensation of aliphatic aldehydes with CH acids, malonodinitrile, cyanothioacetamide, cyclohexane-1,3-dione, dimedone, 4-hydroxycoumarin, 3-aminophenol, and N-(cyclohex-1-enyl)morpholine leads to formation of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile. The structure of the latter was proved by the X-ray diffraction data.
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