The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1H-Pyrazole-5-carbaldehyde(SMILESS: O=CC1=CC=NN1,cas:948552-36-1) is researched.Reference of tert-Butyl 5-bromo-1H-indazole-1-carboxylate. The article 《Photoisomerization and hydrogen-bonding-induced association in 2-(1H-diazol-2-ylmethylene)indane-1-ones and 2-(1H-diazol-2-ylmethylene)-1H-indene-1,3(2H)-diones.》 in relation to this compound, is published in Tetrahedron. Let’s take a look at the latest research on this compound (cas:948552-36-1).
The products of condensation of 2-imidazolyl-, 4-imidazolyl-, 3-pyrazolylcarbaldehydes with indan-1-one 1-3 and 1H-indene-1,3(2H)-dione 4-6 were synthesized. The E-isomers of 1-3 undergo UV-induced isomerization to the Z-isomers stabilized by intramol. NH···O=C hydrogen bond with the pyrrolic-type NH group. Theor. anal. of all isomers, tautomers and rotamers showed that the degree of conjugation between the diazolyl group and the C=O group decreases in the order 1 > 2>3. Spectroscopic study of 1-6 performed before and after UV irradiation allowed to conclude on the nature of the associates formed. A remarkably different association of the 2- and 4-imidazolyl derivatives 4 and 5 was revealed by X-ray and confirmed theor., leading to the formation of the chelate rings closed by NH···O=C hydrogen bond in 4 or by N-H …Npyridinic hydrogen bond in 5. Both chelate rings include two bifurcate H-bonds with bifurcation on the carbonyl oxygen and the pyrrolic NH hydrogen.
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