5-BROMO-PYRAZINE-2,3-DIAMINE

Step 1; A suspension of 1 (3 g, 11.64 mmol) in 25percent aq. NH3, 5-Dibromopyrazin-2-amine (10.0 g, 39.5 mmol) was suspended in 200 ml concentrated (32percent) aqueous ammonia and the mixture was stirred at 130 00 in a pressure tube for 5 days. The mixture was allowed to cool, forming a precipitate. Thesolid was collected by filtration, washed with water and dried in vacuo to give 5.10 g(27.0 mmol, 68percent yield) of the title compound as a pale brown solid. Purity 100percent.1H NMR (300 MHz, DMSO-d6) ö ppm 7.20 (s, 1 H), 6.40 (br s, 2H), 6.05 (br s, 2H).UPLC/MS (3 mm) retention time 0.69 mm.LRMS: mlz 189, 191 (M+1, lxBr).(a) Add 2-amino-3, 5-dibromopyrazine (10 g, 39.54 mmol, 1 eq) to a 100 mL autoclaveAnd ammonia (50 mL, commercially available), Raise the temperature to 130 ° C under nitrogen protection conditions and carry out the reaction overnight (10 to 12 hours);Cooling, suction filtration, The obtained solid was vacuum dried to give 5.0 g of Compound II.

Molecular Weight:189.01
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:187.96976
Monoisotopic Mass:187.96976
Topological Polar Surface Area:77.8
Heavy Atom Count:9
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes