49545-46-2

Upstream product

• 141-84-4 2-thioxo-4-thiazolidinone 
• 62-53-3 aniline 
• 100-34-5 benzene diazonium chloride 

Downstream Products

• 10513-21-0 2,4-dithioxo-thiazolidin-5-one phenylhydrazone 
• 51625-45-7 2-(4-chloro-phenylsulfanyl)-thiazole-4,5-dione 5-phenylhydrazone 

Relevant academic research and scientific papers

Optical properties of some synthesized azo thin films

5-(4′-Alkyl phenylazo)-2-thioxothiazolidin-4-one (PATT-Ln) have been synthesized and characterized with various physico-chemical techniques. Thin films of PATT-Ln have been prepared by the thermal deposition technique in a vacuum of 3 × 10-5 mbar onto optical flat glass substrates. The absorption properties of thermally deposited PATT-Ln thin films were investigated in the wavelength range 190-2500 nm. The type of optical transition near the edge of the band gap is found to be direct allowed transition. The values of the energy gap for derivatives under investigation are calculated and found to be in the range 1.77-2.29 eV dependent on the nature of the substituent. They tend to the increase according to the following order p-(OCH3 3 2) as expected from Hammett's constant σR.

Supramolecular structure, molecular docking and thermal properties of azo dye complexes

The complexes of [Pt(Ln)2] and [M(Ln)2(OH2)2]Cl (M = Rh(III) and Ir(III)), where Ln = monobasic bidentate 5-(4-derivatives phenylazo)-2-thioxo-4-thiazolidinone (HLn) have been prepared and characterized by elemental analyses, conductivity measurements, magnetic susceptibility measurements and spectroscopic (IR, Uv.-Vis. and 1H NMR) studies. The X-ray diffraction (XRD) pattern of the ligand (HL2) is polycrystalline nature. The molecular, electronic structures and quantum chemical parameters of the ligands (HLn) were studied. Molecular docking was used to predict the binding between ligands (HLn) and the receptor of breast cancer 3HB5 oxidoreductase. The Rh(III) and Ir(III) complexes are six-coordinate distorted octahedral, whereas Pt(II) is four coordinated. The ligand coordinates through the azo dye nitrogen atom and enolic oxygen atom after deprotonation. The molar conductivities show that all the complexes of Pt(II) are non-electrolytes while Rh(III) and Ir(III) complexes are electrolytic nature. The ligands field parameters were calculated using various energy level diagrams.

Supramolecular spectroscopic and thermal studies of azodye complexes

A series of heterocyclic ligand of copper(II) complexes have been synthesized by the reaction of copper(II) acetate with 5-(4′-derivatives phenylazo)-2-thioxothiazolidin-4-one (HLn) yields 1:1 and 1:2 (M:L) complexes depending on the reaction conditions. The elemental analysis, spectral (IR and ESR), conductance, magnetic measurements, and thermogravimetric analysis (TGA) are used to characterize the isolated complexes. It is found that the change of substituent affects the thermal properties of azodye rhodanine derivatives and their Cu(II) complexes. The molecular and electronic structures of the investigated compounds (HLn) were also studied using quantum chemical calculations. According to intramolecular hydrogen bond leads to increasing of the complexes stability. The data revealed that the coordination geometry around Cu(II) in all complexes (1-4) exhibit a trans square planar by NO monobasic bidentate and the two monobasic bidentate in octahedral complexes (5-7). Electronic, magnetic data and ESR spectra proposed the square planar structure for all complexes (1-4) under investigation. The value of covalency factor (β1a?? -)2 and orbital reduction factor K accounts for the covalent nature of the complexes. The activation thermodynamic parameters, such as activation energy (Ea), enthalpy (ΔH *), entropy (ΔS*), and Gibbs free energy change of the decomposition (ΔG*) are calculated using Coats-Redfern and Horowitz-Metzger methods.

Thermal properties, antimicrobial activity and DNA binding of Ni(II) complexes of azo dye compounds

A novel series of nickel(II) azo dye complexes of 5-(4-methoxyphenylazo)-2-thioxo-4-thiazolidinone (HL1), 5-(4-methylphenylazo)-2-thioxo-4-thiazolidinone (HL2), 5-(phenylazo)-2-thioxo-4-thiazolidinone (HL3) and 5-(4-nitrophenylazo)-2-thioxo-4-thiazolidinone (HL4) were prepared and characterized elemental analyses, IR, UV–Visible spectra, X-ray diffraction analysis and mass spectrum as well as thermogravimetric analysis (TGA). The magnetic measurements of Ni(II) complexes (1–4) lie in 3.05–3.20 BM., as anticipated for octahedral geometry. Quantum chemical parameters and molecular structures of the complexes were theoretically computed and the results were studied. IR spectra show that HLn ligands (n?=?1–4) act a monobasic bidentate ligands by coordinating via the oxygen atom of the deprotonated [sbnd]OH group moiety and nitrogen atom of azo group. The interaction between Ni(II) complexes and calf thymus DNA (CT-DNA) shows hyperchromism effect coupled with obvious bathochromic shift. The value of binding constant (Kb) obtained from the absorption spectral technique for Ni(II) complexes (1–4) was calculated and found to be 1.20?×?105, 1.17?×?105, 7.22?×?104 and 6.65?×?104?M??1, respectively. The antimicrobial activities of Ni(II) complexes (1–4) were investigated. It was found that the Ni(II) complexes have low antibacterial activity against Klebsiella pneumoniae. Complex (1) has antifungal activity against Penicillium italicum. All the Ni(II) complexes have more antibacterial activity than the penicillin against Klebsiella pneumoniae. The thermodynamic parameters were calculated using Coats–Redfern and Horowitz–Metzger methods. From the values of the thermal activation energy for decomposition (Ea) of Ni(II) complexes (1–4), it was found that the Ea value for the complex (4) is higher compared to the other complexes. The positive value of Gibbs free energy of decomposition (ΔG?) for the Ni(II) complexes is non-spontaneous processes.

Synthesis, molecular geometry, spectroscopic studies and thermal properties of Co(II) complexes

Co(II) complexes (1-4) were prepared and characterized by elemental analyses, infrared spectra, spectral studies, magnetic susceptibility measurements, X-ray diffraction analysis and thermogravimetric analysis (TGA). The X-ray diffraction patterns of Co(II) complexes were observed many peaks which indicate the polycrystalline nature. The thermodynamic parameters were calculated by using Coats–Redfern and Horowitz–Metzger methods. The bond length, bond angle and quantum chemical parameters of the Co(II) complexes were studied and discussed. The Co(II) complexes were tested against various Gram-positive bacteria, Gram-negative bacteria and fungi. It was found that the Co(II) complex (1) has more antifungal activity than miconazole (antifungal standard drug) against P. italicum at all concentration. The Co(II) complex (2) has more antibacterial activity than the penicillin against K. pneumoniae at all concentration. The interaction between Co(II) complexes and calf thymus DNA show hypochromism effect. The relationship between the values of HOMO–LUMO energy gap (?E) and the values of intrinsic binding constant (Kb) is revealed increasing of HOMO–LUMO energy gap accompanied by the decrease of Kb.

Spectroscopic, potentiometric and thermodynamic studies of azo rhodanines and their metal complexes

The proton-ligand dissociation constant of 5-(4′-arylazo)-2-thioxothiazolidin-4-one (HLn) and metal-ligand stability constants of their complexes withmetal ions (Mn2+, Co2+, Ni2+, Cu2+ and Zn2+/

Supramolecular structure, stereochemistry and substituents effect on the spectral studies of novel ruthenium complexes

Novel complexes of Ru(III) with 5-(4-alkylphenylazo)-2-thioxo-4- thiazolidinone (HLn) have been prepared and characterized by elemental analysis, thermogravimetric analysis (TGA), 1H NMR, magnetic susceptibility and electronic spectral techniques. Tentative structures for the complexes are proposed. The important infrared (IR) bands and the main 1H NMR signals are assigned and discussed relative to the molecular structure. The spectra show that all complexes are octahedral in which chloride is attached to the metal ion. The spectral data were utilized to compute the important ligand field parameters B, β and Dq. The B-values suggest a strong covalency in the metal-ligand σ-bond and the Dq-values indicate a medium strong ligand field. Results show that the β-depends greatly upon the electronegativity of the donor atoms and the ligand structure and also the effect of the p-substituent groups. The ligands act as a monobasic (bis/tris-bidentate chelating agent) coordinating through NN and OH groups by replacement of a proton from the latter group there by forming a six-membered. Stability of these complexes has been investigated and a considerable interest has also been focused on the synthesis of the azo compounds and its metal complex due to its wide potential applications. In p-azo-rhodanine intramolecular OH?N hydrogen bonds have detected.

Supramolecular structure and spectral studies on mixed-ligand complexes derived from β-diketone with azodye rhodanine derivatives

A novel method to synthesize some mononuclear ternary palladium(II) complexes of the general formula [Pd(Ln)L] (where LH = diketone = acetylacetone, HLn = azorhodanine) has been synthesize. The structure of the new mononuclear ternary palladium(II) complexes was characterized using elemental analysis, spectral (electronic, infrared and 1H & 13C NMR) studies, magnetic susceptibility measurements and thermal studies. The IR showed that the ligands (HLn & LH) act as monobasic bidentate through the azodye nitrogen, oxygen keto moiety and two enolato oxygen atoms. The molar conductivities show that all the complexes are non-electrolytes. Bidentate chelating nature of β-diketone and azorhodanine anions in the complexes was characterized by (electronic, infrared and 1H & 13C NMR) spectra. Square planar geometry around palladium has been assigned in all complexes. Various ligand and nephelouxetic parameter have been calculated for the complexes. The thermal decomposition for complexes was studied.

Spectroscopic, thermal and geometrical structures of Cu(II) azo rhodanine complexes

Copper(II) complexes of azo rhodanine (1-3) were prepared and characterized by elemental analyses, IR spectra, X-ray diffraction, thermogravimetric analysis (TGA), molar conductance and magnetic susceptibilities as well as mass spectra. The IR spectra sho

Thermal, spectroscopic studies and hydrogen bonding in supramolecular assembly of azo rhodanine complexes

A novel series of Cu(II) complexes of azo rhodanine derivatives (HLn) have been prepared and characterized by thermal analysis, spectral studies (IR, mass, UV-Vis, ESR) and magnetic measurements. IR spectra suggest that the HLn acts as a bidentate ligands coordinating via (NN) and deprotonated enolized carbonyl oxygen (-C-O-). ESR spectra of the Cu(II) complexes show dx2-y2 as a ground state, suggesting tetrahedral distorted or square planar geometries around Cu(II) center. The X-ray diffraction (XRD) patterns powder forms of Cu(II) complexes shows many diffraction peaks which indicates the polycrystalline phase. Thermal properties and decomposition kinetics of compounds are investigated. The thermodynamic parameters and evaluation of kinetic parameters (Ea, ΔS?, ΔH? and ΔG?) of thermal decomposition stages have been evaluated using Coats-Redfern and Horowitz-Metzger methods. Cu(II) complexes are screened for their biological activity against bacterial and fungal species. The Cu(II) complexes showed antimicrobial activities against Staphylococcus aureus and Penicillium italicum.