The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Methyl 5-methoxyindole-2-carboxylate(SMILESS: O=C(C(N1)=CC2=C1C=CC(OC)=C2)OC,cas:67929-86-6) is researched.Quality Control of 1-Hexyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The article 《Synthesis, spectroscopic investigations, DFT studies, molecular docking and antimicrobial potential of certain new indole-isatin molecular hybrids: Experimental and theoretical approaches》 in relation to this compound, is published in Journal of Molecular Structure. Let’s take a look at the latest research on this compound (cas:67929-86-6).
Indole-isatin mol. hybrids I [R = H, 4-FC6H4; X = H, F, MeO, etc.] were synthesized and characterized by different spectroscopic methods and evaluated as new antimicrobial agents against a panel of Gram pos. bacteria, Gram neg. bacteria and molds. Compound I [R = 4-FC6H4, X = Cl] was selected as a representative example of the prepared compounds to perform computational investigations. Its vibrational properties were studied using FT-IR and FT-Raman with the aid of d. functional theory approach. The natural bond orbital anal. as well as HOMO and LUMO MOs investigations of compound I [R = 4-FC6H4, X = Cl] were carried out to explore its possible intermol. delocalization or hyperconjugation and its possible interactions with the target protein. Mol. docking of compound I [R = 4-FC6H4, X = Cl] predicted its binding mode with the fungal target protein.
Different reactions of this compound(Methyl 5-methoxyindole-2-carboxylate)HPLC of Formula: 67929-86-6 require different conditions, so the reaction conditions are very important.
Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem