1H-Imidazole-4-carboxylicacid,5-nitro-,methylester

At 100° C., 45.0 g (0.56 mol) of ammonium nitrate are added a little at a time to a solution of 20.0 g (0.18 mol) of 1H-imidazole-4-carboxylic acid in 160 ml of concentrated sulphuric acid. Ammonium nitrate (3.2 g, 40.2 mmol) was added slowly to a solution of 4imidazolecarboxylic acid (3.0 g, 26.8 mmol) in concentrated sulfuric acid (24 ml) at 100 C. The reaction was heated for 2 days then cooled. Methanol (15 ml) was added cautiously with vigorous stirring and then the reaction heated at 60 C for 24 h. The reaction was cooled and poured onto ice, causing a fine white precipitate to form. The mixture was neutralized by the addition of 33 percent aqueous ammonia. The solid was filtered off and dried to give the title compound (1.24 g, 27percent). A second crop of crystals was collected from the filtrate (0. 82 g, 18percent).'H NMR (400 MHz, DMSO) 8 14.2(1H, brs), 7.94(1H, s), 3.87 (3H, s).

Molecular Weight:171.11
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:171.02800565
Monoisotopic Mass:171.02800565
Topological Polar Surface Area:101
Heavy Atom Count:12
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes