Cambridge id 5212443

• 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: Cambridge id 5212443
• 英文别名: 2-amino-4-benzylsulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
• 化学式: C₁₉H₂₀N₄S
• 分子量: 336.461
• InChiKey: YCEPIWJNXNJYET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氯乙酰氯 、 Cambridge id 5212443 以 甲苯 为溶剂， 以68%的产率得到N-(2-benzylthio-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexan-6-yl)-2-chloroacetamide
  参考文献：
  名称：

  Multicomponent synthesis of 2-alkylthio-6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocycloalkanes. Molecular and crystal structure of 6-amino-2-(2-methylbenzylthio)-3,5-dicyano-1,4-dihydropyridine-4-spirocyclopentane

  摘要：

  2-Alkylthio-6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocycloalkanes were synthesized via the reaction of cycloalkylidene malononitriles with cyanothioacetamide and alkyl halides. The structure of 6-amino-2-(2-methylbenzylthio)-3,5-dicyano-1,4-dihydropyridine-4-spirocyclopentane was determined by the X-ray diffraction analysis.

  DOI：

  10.1134/s1070363211040232
• 作为产物：
  描述：

  2-cyano-2-cyclohexylidenethioacetamide 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 Cambridge id 5212443
  参考文献：
  名称：

  Synthesis, alkylation, and molecular and crystal structure ofN-methylmorpholinium 6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexane-2-thiolate

  摘要：

  The reaction of cyano(cyclohexylidene)thioacetamide with cyanothioacetamide or malononitrile and N-methylmorpholine yields N-methylmorpholinium 6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexane-2-thiolate. Its structure was established based on the results of alkylation and X-ray structural analysis.

  DOI：

  10.1007/bf01435393

文献信息

• Multicomponent synthesis of 2-alkylthio-6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocycloalkanes. Molecular and crystal structure of 6-amino-2-(2-methylbenzylthio)-3,5-dicyano-1,4-dihydropyridine-4-spirocyclopentane
  作者：V. D. Dyachenko、V. N. Nesterov、I. V. Dyachenko

  DOI：10.1134/s1070363211040232

  日期：2011.4

  2-Alkylthio-6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocycloalkanes were synthesized via the reaction of cycloalkylidene malononitriles with cyanothioacetamide and alkyl halides. The structure of 6-amino-2-(2-methylbenzylthio)-3,5-dicyano-1,4-dihydropyridine-4-spirocyclopentane was determined by the X-ray diffraction analysis.
• Synthesis, alkylation, and molecular and crystal structure ofN-methylmorpholinium 6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexane-2-thiolate
  作者：V. D. Dyachenko、S. G. Krivokolysko、V. N. Nesterov、Yu. T. Struchkov、V. P. Litvinov

  DOI：10.1007/bf01435393

  日期：1996.10

  The reaction of cyano(cyclohexylidene)thioacetamide with cyanothioacetamide or malononitrile and N-methylmorpholine yields N-methylmorpholinium 6-amino-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexane-2-thiolate. Its structure was established based on the results of alkylation and X-ray structural analysis.