N-(2-methylthio-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexan-6-yl)acetamide | 402954-46-5

• 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: N-(2-methylthio-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexan-6-yl)acetamide
• 英文别名: N-(1,5-dicyano-4-methylsulfanyl-3-azaspiro[5.5]undeca-1,4-dien-2-yl)acetamide
• CAS: 402954-46-5
• 化学式: C₁₅H₁₈N₄OS
• 分子量: 302.4
• InChiKey: YEZYYNFBAFLCIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙酰溴 、 2-Amino-4-methylsulfanyl-3-aza-spiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile 以 甲苯 为溶剂， 以73%的产率得到N-(2-methylthio-3,5-dicyano-1,4-dihydropyridine-4-spirocyclohexan-6-yl)acetamide
  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

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.