4-Cyclopropyl-1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole and Ethyl 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole-4-carboxylate was written by Boechat, Nubia;Carvalho, Alcione S.;Quaresma, Bruna M. C. S.;Wardell, James L.;Wardell, Solange M. S. V.. And the article was included in Journal of Chemical Crystallography in 2016.Application of 40594-98-7 This article mentions the following:
The crystal structures of 4-cyclopropyl-1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole (I) and Et 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole-4-carboxylate (II) were reported. The two mols. were non-planar as indicated by the dihedral angles between the heteroaryl rings of 53.94 (7)° in I (R = cyclopropyl) and 70.68 (12)° in I (R = EtOCO). Considerable delocalization of π-electron d. within the triazole ring was indicated by the pattern of bond distances in I. By contrast to I, localization of π-electron d. within the triazole ring in II was apparent. In both mols., the nitro group took part in N-O···π(imidazole) interactions. Compound I crystallized in the orthorhombic space group P212121 with a = 7.8053(3) Å, b = 8.5264(3) Å, c = 15.7343(11) Å and Z = 4. Compound II crystallized in the monoclinic space group, P21/c with a = 5.2740(4) Å, b = 8.9695(5) Å, c = 26.0080(18) Å, β = 92.622(2)° and Z = 4. In the experiment, the researchers used many compounds, for example, Ethyl 1H-1,2,3-triazole-5-carboxylate (cas: 40594-98-7Application of 40594-98-7).
Ethyl 1H-1,2,3-triazole-5-carboxylate (cas: 40594-98-7) belongs to triazole derivatives. However, triazoles are also useful in bioorthogonal chemistry, because the large number of nitrogen atoms causes triazoles to react similar to azides. 1,2,3-Triazoles are usually prepared following (3+2) cycloaddition protocols. A common technique for unsubstituted triazoles is the Huisgen azide-alkyne 1,3-dipolar cycloaddition: a azide and an alkyne react at high temperature to form a ring. However, the Huisgen strategy produces a mixture of isomers (typically 1,4- and 1,5-disubstituted) when used to produce substituted triazoles.Application of 40594-98-7
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics