Structure of 7577-92-6
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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CAS No. : | 7577-92-6 |
Formula : | C5H7N3O2 |
M.W : | 141.13 |
SMILES Code : | O=C(N1)NC=C(NC)C1=O |
MDL No. : | MFCD00619251 |
InChI Key : | DYRPKHXNULRIQL-UHFFFAOYSA-N |
Pubchem ID : | 255550 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302 |
Precautionary Statements: | P501-P270-P264-P301+P312+P330 |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63.5% | for 16.0h;Reflux; | 5-Bromouracil (10 g, 52.4 mmol) was added 50 mL of 27% methylamine solution,Plus reflux reaction 16h.System cooling,And filtered to give 4.7 g of a pale yellow solid,Yield 63.5%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
25.3% | With trichlorophosphate; In N,N-dimethyl-aniline; at 110℃; for 24.0h; | A solution of 5- (methylamino) pyrimidine-2,4 (1H, 3H) -dione (4.7 g, 33.3 mmol)Was added to 50 mL of POCl3,A solution of 2 mL of N, N-dimethylaniline,Add 110 reaction 24hcool down,Vacuum concentration system,Add 20mL toluene again spin dry system,Get the oil into the ice water,Neutralized with Na2CO3 to neutral,Ethyl acetate extraction,dry,The organic phase was concentrated to give 1.5 g of product,Yield 25.3%. |