The effect of reaction temperature change on equilibrium 4531-54-8

This compound(1-Methyl-4-nitro-1H-imidazol-5-amine)Name: 1-Methyl-4-nitro-1H-imidazol-5-amine was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Nucleophilic substitution reactions of 1-methyl-4,5-dinitroimidazole with aqueous ammonia or sodium azide》. Authors are Lian, Peng-Bao; Guo, Xiao-Jie; Wang, Jian-Long; Chen, Li-Zhen; Shen, Fan-Fan.The article about the compound:1-Methyl-4-nitro-1H-imidazol-5-aminecas:4531-54-8,SMILESS:NC1=C([N+]([O-])=O)N=CN1C).Name: 1-Methyl-4-nitro-1H-imidazol-5-amine. Through the article, more information about this compound (cas:4531-54-8) is conveyed.

In this work, 5-amino-1-methyl-4-nitroimidazole was synthesized by amination reaction of 1-methyl-4,5-dinitroimidazole with aqueous ammonia in 95% yield. Meanwhile, one of its isomers, 4-amino-1-methyl-5-nitroimidazole as byproduct was obtained from the filtrate. Furthermore, nucleophilic substitution reaction of 1-methyl-4,5-dinitroimidazole with sodium azide gave 5-azido-1-methyl-4-nitroimidazole in 98% yield. The three compounds were characterized by IR, 1H and 13C NMR spectra, m.ps., and elemental anal. The structure of 4-amino-1-methyl-5-nitroimidazole was further confirmed by single crystal X-ray diffraction. These reactions indicate that the nitro group at position 5 of 1-methyl-4,5-dinitroimidazole is quite unstable, as well as partial substitution of nitro group at position 4 also occurred in aqueous ammonia. Only one nitro group of the two is involved in nucleophilic substitution reaction in each case.

This compound(1-Methyl-4-nitro-1H-imidazol-5-amine)Name: 1-Methyl-4-nitro-1H-imidazol-5-amine was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem