22813-32-7

127894-74-0

22813-32-7

The general procedure for the synthesis of 2-(2-nitro-1H-imidazol-1-yl)acetic acid from the compound (CAS:127894-74-0) was as follows: compound 2 (2.5 g) was dissolved in 20 mL of a solvent mixture consisting of trifluoroacetic acid (TFA), water, and anisole sulfide in the ratio of 95:2.5:2.5, by volume, and the reaction was stirred at room temperature overnight. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure and co-evaporated with ether several times until a solid powder was formed. Subsequently, the precipitate was collected by filtration and washed sequentially with dichloromethane and acetonitrile to finally quantitatively obtain the target product 2-(2-nitro-1H-imidazol-1-yl)acetic acid. The melting point of the product was 143 °C (decomposition); 1H NMR (DMSO-d6, 400 MHz) δ 5.21 (s, 2H), 7.21 (d, 1H, J = 1.01 Hz), 7.64 (d, 1H, J = 1.01 Hz); 13C NMR (DMSO-d6, 101 MHz) δ 50.65, 127.69, 128.44 , 168.56, 168.57; mass spectra (ESI+/ESI-) m/z 170.12 [M-H]-, 341.05 [2M-H]-, 194.14 [M+Na]+.