N-Methylmorpholinium 6-amino-3,5-dicyano-4,4-pentamethylene-1,4-dihydropyridine-2-thiolate

• 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-Methylmorpholinium 6-amino-3,5-dicyano-4,4-pentamethylene-1,4-dihydropyridine-2-thiolate
• 英文别名: 2-Amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-diene-4-thiolate;4-methylmorpholin-4-ium
• 化学式: C₅H₁₁NO*C₁₂H₁₄N₄S
• 分子量: 347.484
• InChiKey: HUOGROMHTJYLGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  99.1
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-Methylmorpholinium 6-amino-3,5-dicyano-4,4-pentamethylene-1,4-dihydropyridine-2-thiolate 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以92%的产率得到2-Amino-4-mercapto-3-aza-spiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
  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
• 作为产物：
  描述：

  N-甲基吗啉 、 2-cyano-2-cyclohexylidenethioacetamide 、 丙二腈 以 乙醇 为溶剂， 反应 24.0h， 以78%的产率得到N-Methylmorpholinium 6-amino-3,5-dicyano-4,4-pentamethylene-1,4-dihydropyridine-2-thiolate
  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

• Litvinov; Dyachenko, Russian Journal of Organic Chemistry, 1999, vol. 35, # 9, p. 1377 - 1384
  作者：Litvinov、Dyachenko

  DOI：——

  日期：——
• A New Route to Partially Hydrogenated Thiazolo[3,2-a]pyridine
  作者：A. D. Dyachenko、S. M. Desenko、V. D. Dyachenko、A. N. Chernega

  DOI：10.1023/b:cohc.0000037322.78539.cc

  日期：2004.5
• An Efficient Mannich-Type One-Pot Synthesis of 3,5,7,11-Tetraazatricyclo [7.3.1.02,7]tridec-2-ene Derivatives Starting from Functionalized 1,4-Dihydropyridines
  作者：Victor V. Dotsenko、Sergey G. Krivokolysko、Alexander N. Chernega、Victor P. Litvinov

  DOI：10.1007/s00706-006-0569-y

  日期：2007.1

  3,5,7,11-Tetraazatricyclo[7.3.1.0(2,7)]tridec-2-ene derivatives were prepared in one-pot manner from N-methylmorpholinium 6-amino-3,5-dicyano-4-spiro(1'-cycloalkane)-1,4-dihydropyridine-2-thiolates, primary amines, and formaldehyde in 70-88% yields. The structure of 5,11-dibenzyl-13-spiro(1'-cyclopentane)-8-thioxo-3,5,7,11-tetraazatricyclo[7.3.1.0(2,7)]tridec-2-ene-1,9-dicarbonitrile was determined by 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.