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[ CAS No. 2055-46-1 ] {[proInfo.proName]}

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Chemical Structure| 2055-46-1
Chemical Structure| 2055-46-1
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Product Details of [ 2055-46-1 ]

CAS No. :2055-46-1 MDL No. :MFCD00060526
Formula : C4H8N2S Boiling Point : -
Linear Structure Formula :- InChI Key :NVHNGVXBCWYLFA-UHFFFAOYSA-N
M.W : 116.18 Pubchem ID :2723785
Synonyms :

Safety of [ 2055-46-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2055-46-1 ]

* 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 [ 2055-46-1 ]

[ 2055-46-1 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 2055-46-1 ]
  • [ 5147-80-8 ]
  • C5H4N2S2*C5H10N2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% In N,N-dimethyl-formamide; at 120℃; for 3h; General procedure: A mixture of cyclic thiourea 4a-e (1 mmol) and di(methylsulfanyl)methylenemalononitrile 5a (0.170 g, 1 mmol) in DMF (3 mL) was stirred at 120 C. Upon completion (3 h monitored by TLC), the solvent was removed by rotary evaporator under vacuum. The afforded orange solid washed by ethyl acetate and dried to give 1.
  • 2
  • [ 2055-46-1 ]
  • [ 5147-80-8 ]
  • [ 762-42-5 ]
  • 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 [ 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). Yellow powder,m.p 300 ±C, 0.259 g, yield: 78%. IR (KBr)(max,cm1): 3336 and 3295 (NH2 and NH), 2221 (CN), 1746(CO2Me), 1693 (CO), 1614 (CN), 1578 (CC), 1295(CS), 1084 (C-O). Anal. Calcd. for C13H12N6O3S(332.33): C, 46.98; H, 3.64; N, 25.29%. Found C, 46.97;H, 3.64; N, 25.31. 1H NMR (300 MHz, DMSO-d6): 1.95(2H, m, CH2), 3.30-3.34 (2H, m, CH2N), 3.81 (2H, t,3JHH 4.8 Hz, CH2NH), 3.91 (3H, s, CO2Me), 6.55(2H, s, NH2), 9.35 (1H, s, NH). 13C{1H} (75.0 MHz,DMSO-d6): 19.00, 39.33, 40.44, 58.83, 102.74, 102.94,116.99, 147.14, 154.61, 156.57, 158.45, 160.69, 179.73.MS (EI, 70 eV): 332 (M?, 27), 288 (33), 259 (37), 227(48), 190 (35), 149 (53), 120 (28), 83 (66), 58 (100).
  • 3
  • [ 2055-46-1 ]
  • [ 5147-80-8 ]
  • [ 762-42-5 ]
  • methyl 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 [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% 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).
  • 4
  • [ 2055-46-1 ]
  • [ 5147-80-8 ]
  • [ 762-21-0 ]
  • ethyl 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 [ 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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