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CAS No. : | 3034-38-6 | MDL No. : | MFCD00005196 |
Formula : | C3H3N3O2 | Boiling Point : | - |
Linear Structure Formula : | C3H3N2(NO2) | InChI Key : | VYDWQPKRHOGLPA-UHFFFAOYSA-N |
M.W : | 113.07 | Pubchem ID : | 18208 |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P501-P270-P264-P280-P337+P313-P301+P312+P330 | UN#: | N/A |
Hazard Statements: | H302-H315-H319 | Packing Group: | N/A |
GHS Pictogram: |
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* 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 |
---|---|---|
91% | With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 50℃; for 6h; | A mixture of Part A (1.55 g, 3.64 mmol), 4-nitroimidazole (452 mg, 4.00 mmol), and anhydrous potassium carbonate (552 mg, 4.00 mmol) in DMF (5 mL) was heated at 50C under argon for 6 h, cooled to RT, and the solvent was removed in vacuo. The yellow residue was partitioned between EtOAc (50 mL) and water (10 mL). The aqueous layer was extracted with EtOAc (3 mL). The combined organic extracts were washed with water (3 x 10 mL) and brine (20 mL), then dried over Na2SO4. Evaporation gave 1.77 g of a foamy gum, which was purified by flash chromatography on silica gel (120 g) eluting with 15% EtOAc/CH2CH2 to provide title compound (1.51 g, 91%) as a white foam. |
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