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Chemical Structure| 5700-04-9 Chemical Structure| 5700-04-9

Structure of 5700-04-9

Chemical Structure| 5700-04-9

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Product Details of [ 5700-04-9 ]

CAS No. :5700-04-9
Formula : C5H10N2S
M.W : 130.21
SMILES Code : S=C1NCCCCN1
MDL No. :MFCD00189272

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Application In Synthesis of [ 5700-04-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5700-04-9 ]

[ 5700-04-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 5700-04-9 ]
  • [ 5147-80-8 ]
  • [ 762-42-5 ]
  • methyl 9-amino-11-cyano-7-oxo-10-thioxo-1,2,3,4,5,7,9,10 octahydropyrido[4’,3’:4,5]pyrimido[1,2-a][1,3]diazepine-8-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% To a solution of the corresponding cyclic thiourea1 (1 mmol) in DMF (1.0 mL) was added 2-di(methylsulfanyl) methylene malononitrile 2 (0.170g, 1 mmol). The reaction mixture was stirred for 3 h at120 ±C. Afterward, a solution of dialkyl acetylenedicarboxylates3 (1 mmol) in EtOH (2.0 mL) was addeddropwise to the reaction mixture at room temperature.After completing the addition, the stirring continuedfor another 20 min. Then, the correspondingN-nucleophiles 4 (1.2 eq) were added to the mixture.After stirring for 1 h at room temperature, thesolvent was evaporated by a rotary evaporator andthe residue was washed by EtOH to yield the desiredadducts 5a-m.Methyl 8-amino-10-cyano-6-oxo-9-thioxo-1,3,4,6,8,9-hexahydro-2H-pyrido[4,3-d]pyrimido[1,2-a]pyrimidine-7-carboxylate (5a).
  • 2
  • [ 5700-04-9 ]
  • [ 5147-80-8 ]
  • [ 762-21-0 ]
  • ethyl 9-amino-11-cyano-7-oxo-10-thioxo-1,2,3,4,5,7,9,10 octahydropyrido[4’,3’:4,5]pyrimido[1,2-a][1,3]diazepine-8-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% To a solution of the corresponding cyclic thiourea1 (1 mmol) in DMF (1.0 mL) was added 2-di(methylsulfanyl) methylene malononitrile 2 (0.170g, 1 mmol). The reaction mixture was stirred for 3 h at120 ±C. Afterward, a solution of dialkyl acetylenedicarboxylates3 (1 mmol) in EtOH (2.0 mL) was addeddropwise to the reaction mixture at room temperature.After completing the addition, the stirring continuedfor another 20 min. Then, the correspondingN-nucleophiles 4 (1.2 eq) were added to the mixture.After stirring for 1 h at room temperature, thesolvent was evaporated by a rotary evaporator andthe residue was washed by EtOH to yield the desiredadducts 5a-m.Methyl 8-amino-10-cyano-6-oxo-9-thioxo-1,3,4,6,8,9-hexahydro-2H-pyrido[4,3-d]pyrimido[1,2-a]pyrimidine-7-carboxylate (5a).
 

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