1190604-06-8

Upstream product

• 69015-43-6 1-butyl-5-nitro-1H-benzo[d]imidazole 
• 140-53-4 p-chlorobenzyl cyanide 
• 94-52-0 5-nitrobenzimidazole 

Relevant academic research and scientific papers

Synthesis, characterization and quantum-chemical investigations of new fluorescent heterocyclic Schiff-base ligands and their cobalt(II) complexes

Two new fluorescent heterocyclic Schiff base ligands were synthesized and characterized by elemental analyses, IR, mass, and NMR spectra. Results from NOESY experiment confirmed the E configuration of Schiff-bases. Coordination of the bidentate ligands wi

New Fe(III) complex with 8-(4-chlorophenyl)-3-butyl-3H-imidazo[4′,5′:3,4]benzo[1,2-c]isoxazol-5-amine (5-AIBI) ligand: Synthesis, spectroscopic characterization and DFT calculations

The new heterocyclic ligand 8-(4-chlorophenyl)-3-butyl-3H-imidazo[4′,5′:3,4]benzo [1,2-c]isoxazol-5-amine (5-AIBI) was synthesized from the reduction of 3-butyl-8-(4-chlorophenyl)-5-nitro-3H-imidazo[4′,5′:3,4]benzo[1,2-c]isoxazole in high yield. The coord

Synthesis, absorption, and adsorption properties, and DFT calculations of two new palladium(II) complexes of new fluorescence imidazo[4′,5′:3,4]benzo[1,2-c]isoxazole-based Schiff-bases

Two new Pd(II) complexes were prepared from two novel fluorescent heterocyclic bidentate ligands synthesized by the reaction of 8-(4-chlorophenyl)-3-alkyl-3H-imidazo[4′,5′:3,4]benzo [1,2-c]isoxazol-5-amine with p-methoxybenzaldehyde and p-nitrobenzaldehyd

Synthesis, spectral, DFT calculations and antibacterial studies of Fe(III) complexes of new fluorescent Schiff bases derived from imidazo[4',5':3,4]benzo[1,2-c]isoxazole

New fluorescent heterocyclic ligands were synthesized by the reaction of 8-(4-chlorophenyl)-3-alkyl-3H-imidazo[4',5':3,4]benzo [1,2-c]isoxazol-5-amine with p-hydroxybenzaldehyde and p-chlorobenzaldehyde in good yields. The coordination ability of the ligands with Fe3+ ion was examined in an aqueous metanolic solution. Schiff base ligands and their metal complexes were characterized by elemental analyses, IR, UV–vis, mass, and NMR spectra. The optical properties of the compounds were investigated and the results showed that the fluorescence of all compounds is intense and their obtained emission quantum yields are around 0.15 – 0.53. Optimized geometries and assignment of the IR bands and NMR chemical shifts of the new complexes were also computed by using density functional theory (DFT) methods. The DFT-calculated vibrational wavenumbers and NMR chemical shifts are in good agreement with the experimental values, confirming suitability of the optimized geometries for Fe(III) complexes. Also, the 3D-distribution map for HOMO and LUMO of the compounds were obtained. The new compounds showed potent antibacterial activity and their antibacterial activity (MIC) against Gram-positive and Gram-negative bacterial species were also determined. Results of antibacterial test revealed that coordination of ligands to Fe(III) leads to improvement in the antibacterial activity.

Interactions of human serum albumin with bioactive 3H-imidazo[4,5-a]acridines: Insights from fluorescence spectroscopic studies

Several 3H-imidazo[4,5-a]acridine derivatives were conveniently synthesized by the reaction of imidazo[4,5-a]acridones in boiling POCl3. The imidazoacridones were obtained by rearrangement of 3H-imidazo[4′,5′:3,4]benzo[c]isoxazoles in concentrated sulfuric acid containing nitrous acid at room temperature. The structures of all newly synthesized compounds were confirmed by IR, 1H NMR, and mass spectral data. The interactions of 3H-imidazo[4,5-a]acridines with human serum albumin (HSA) were studied by fluorescence spectroscopy. The binding of 3H-imidazo[4,5-a]acridines quenches the HSA fluorescence, revealing a 1: 1 interaction with a binding constant of about 2.34 × 105-3.16 × 106 M-1. A decrease in fluorescence intensity at 339 nm, when excited at 280 nm, is attributed to changes in the environment of the protein fluorophores caused by the presence of the ligand. The differences in interactions of 3H-imidazo[4,5-a]acridines with HSA were observed using spectrofluorimetry technique.

Synthesis, Spectroscopic Characterization and DFT/TD-DFT Calculations of new Fluorescent Derivatives of Imidazo[4′,5′:3,4]Benzo[c]Isoxazole

An increasingly wide variety of fluorescent compounds is used in biotechnology, genomics, immunoassays, array technologies, imaging, and drug discovery. Therefore, synthesis of fluorophores with novel structural features can be interesting and useful in various fields. In this paper, four new fluorescent heterocyclic compounds with high quantum yields are introduced. These new fluorophores are synthesized in moderate to high yields via regioselective nitration of 3-alkyl-8-(4-chlorophenyl)-3 H-imidazo[4′,5′:3,4]benzo[c]isoxazoles. The latter compounds are obtained from the reaction of 1-alkyl-5-nitro-1 H-benzoimidazoles with (4-chlorophenyl)acetonitrile in basic MeOH solution. Physical spectral (UV-vis, IR, 1HNMR, 13C NMR, NOESY and fluorescence) and analytical data have established the structures of synthesized compounds. The fluorescence properties of new fluorescent heterocyclic compounds are studied. The fluorescence of all compounds is very intense and fluorescence quantum yields are high (> 0.52). Density functional theory (DFT) calculations are performed to provide the optimized geometries, relevant frontier orbitals and the prediction of 1H NMR chemical shifts for confirming the exact structure of fluorescent compounds. Calculated electronic absorption spectra were also obtained by time-dependent density functional theory (TD-DFT) method.

Synthesis, antiviral, and cytotoxic investigation of imidazo[4,5-a]acridones

The importance of virus infections and the early successes with some antiviral drugs have prompted the search for new agents, and it has been focused on compounds that are active against herpesviruses, retroviruses, and rhinoviruses. In this paper, 3H-imi

Synthesis of imidazo[4,5-a]acridones and imidazo[4,5-a]acridines as potential antibacterial agents

New imidazo[4,5-a]acridone derivatives were synthesized from the rearrangement of 3H-imidazo[4′,5′:3,4]benzo[c]isoxazoles. New imidazo[4,5-a]acridines were obtained from the reaction of imidazo[4,5-a] acridones in boiling POCl3. All of these co