2-Bromo-3-nitroanisole

The nitrophenol starting material B2 (3.1 g; 14.2 MMOL) was dissolved in DMF (20 mL) and to the solution was added ground cesium carbonate (5. 58 G ; 17.1 MMOL) followed by Mel (2.6 mL; 42.5 MMOL). The mixture was stirred at room temperature overnight. The DMF was evaporated, the residue taken up in ether (1X 200 mL), washed with water (1X 200 ML), brine (4x 100 mL), dried (MGS04), filtered and evaporated to afford the crude 2-bromo-3-nitroanisole B3 (94percent; 3.1 g) as an orange solid. MS 234 (M+2H) + ; Homogeneity by HPLC (TFA) 220 nm: 98percent.Step B:; The nitrophenol starting material 1b2 (3.1 g; 14.2 mmol) was dissolved inDMF (20 mL) and to the solution was added ground cesium carbonate (5.58 g; 17.1mmol) followed by Mel (2.6 mL; 42.5 mmol). The mixture was stirred at roomtemperature overnight. The DMF was evaporated, the residue taken up in ether (1 X200 mL), washed with water (1 X 200 mL), brine (4 X 100 mL), dried (MgSOThe nitrophenol starting material 1b2 (3.1 g; 14.2 mmol) was dissolved in DMF (20 mL) and to the solution was added ground cesium carbonate (5.58 g; 17.1 mmol) followed by Mel (2.6 mL; 42.5 mmol). The nitrophenol starting material 2b2 (3.1 g; 14.2 mmol) was dissolved inDMF (20 mL) and to the solution was added ground cesium carbonate (5.58 g; 17.1mmol) followed by Mel (2.6 mL; 42.5 mmol). The mixture was stirred at roomtemperature overnight. The DMF was evaporated, the residue taken up in ether (1 X200 mL), washed with water (1 X 200 mL), brine (4 X 100 mL), dried ( MgSOStep B; The nitrophenol starting material 2B2 (3.1 g; 14.2 mmol) was dissolved in DMF (20 mL) and to the solution was added ground cesium carbonate (5.58 g; 17.1 mmol) followed by MeI (2.6 mL; 42.5 mmol). The mixture was stirred at room temperature overnight. The DMF was evaporated, the residue taken up in ether (1 X 200 mL), washed with water (1 X 200 mL), brine (4 X 100 mL), dried (MgSOA solution of sodium nitrite (1.48 mol) in water (250 mL) was added to a cold (0-5° C.) solution of the nitroaniline (1.08 mol) in hydrobromic acid (4.87 mol) (prepared by heating the reaction mixture at 90° C. for 2 h).

Molecular Weight:232.03
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:230.95311
Monoisotopic Mass:230.95311
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes