6-bromoisoquinolin-3-amine

6-Bromoisoquinolin-3-amine: A mixture of 1, 6-dibromoisoquinolin-3- amine (13.5 g, 45 mmol), ammonium formate (10.8 g, 172 mmol) and tetrakis(triphenylphosphine)palladium (0) (3.45 g, 3.0 mmol) in 50 mL of DMF was sealed in a 350 mL screw-cap flask and heated at 50 °C for 48 h. To the reaction was added tetrakis(triphenylphosphine)palladium (0) (950 mg) and ammonium formate (3.0 g) and the mixture was heated at 50 °C for 48 h. The mixture was cooled to room temperature and the solid was filtered, washed with a minimal amount of DMF, washed with EtN-(4-bromobenzyl)-2, 2-diethoxyacetimidamide(1.53 g, 4.85 mmol) in sulfuric acid (4 ml., 95-98percent) washeated at 40 C for 14 h. The mixture was neutralized with I MNaOH to pH 7 and the resulting suspension was filtered. Theresidue was purified by silica gel chromatography with20-55percent ethyl acetate in hexanes. The desired fractions wereconcentrated to give a brownish yellow solid (0.434 g, 40percent).

Molecular Weight:223.07
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:221.97926
Monoisotopic Mass:221.97926
Topological Polar Surface Area:38.9
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes