Search results for "Thiosemicarbazone"
showing 10 items of 13 documents
CCDC 685749: Experimental Crystal Structure Determination
2009
Related Article: P.Gomez-Saiz, R.Gil-Garcia, M.A.Maestro, J.L.Pizarro, M.I.Arriortua, L.Lezama, T.Rojo, M.Gonzalez-Alvarez, J.Borras, J.Garcia-Tojal|2008|J.Inorg.Biochem.|102|1910|doi:10.1016/j.jinorgbio.2008.06.015
Revisiting the thiosemicarbazonecopper(II) reaction with glutathione. Activity against colorectal carcinoma cell lines.
2018
Thiosemicarbazones (TSCs), and their copper derivatives, have been extensively studied mainly due to the potential applications as antitumor compounds. A part of the biological activity of the TSC-CuII complexes rests on their reactivity against cell reductants, as glutathione (GSH). The present paper describes the structure of the [Cu(PTSC)(ONO2)]n compound (1) (HPTSC =pyridine-2-carbaldehyde thiosemicarbazone) and its spectroscopic and magnetic properties. ESI studies performed on the reaction of GSH with 1 and the analogous [{Cu (PTSC*)(ONO2)}2] derivative (2, HPTSC* =pyridine-2-carbaldehyde 4N-methylthiosemicarbazone) show the absence of peaks related with TSC-Cu-GSH species. However GS…
Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.
2015
A series of original spiropyrrolizidine derivatives has been prepared by a one-pot three-component [3 + 2] cycloaddition reaction of (E)-3-arylidene-1-phenyl-pyrrolidine-2,5-diones, l-proline, and the cyclic ketones 1H-indole-2,3-dione (isatin), indenoquinoxaline-11-one and acenaphthenequinone. We disclose an unprecedented isomerization of some spiroadducts leading to a new family of spirooxindolepyrrolizidines. Furthermore, these cycloadducts underwent retro-1,3-dipolar cycloaddition yielding unexpected regioisomers. Upon treatment of the dipolarophiles with in situ generated azomethine ylides from l-proline or acenaphthenequinone, formation of spiroadducts and unusual polycyclic fused pip…
A DFT study of [3 + 2] cycloaddition reactions of an azomethine imine with N-vinyl pyrrole and N-vinyl tetrahydroindole
2016
The mechanism and selectivities of the [3+2] cycloaddition (32CA) reactions of azomethine imine (AI) 8 with two N-vinyl five-membered heterocycles (NVFH), 9a and 9b, have been theoretically studied using DFT methods at the MPWB1K/6-31G(d) computational level. The possible ortho/meta regio- and endo/exo stereoselective channels were explored and characterised. The low polar character of these 32CA reactions, which is the consequence of the high nucleophilic character of both reagents, as well as the non-effective reactivity of these NVFH as nucleophiles, accounts for the high calculated activation energies, 16.1 (9a) and 16.8 (9b) kcalmol-1 in chlorobenzene. Analysis of the relative electron…
A Molecular Electron Density Theory Study of the Reactivity of Azomethine Imine in [3+2] Cycloaddition Reactions
2017
The electronic structure and the participation of the simplest azomethine imine (AI) in [3+2] cycloaddition (32CA) reactions have been analysed within the Molecular Electron Density Theory (MEDT) using DFT calculations at the MPWB1K/6-311G(d) level. Electron localisation function (ELF) topological analysis reveals that AI has a pseudoradical structure, while the conceptual DFT reactivity indices characterise this TAC as a moderate electrophile and a good nucleophile. The non-polar 32CA reaction of AI with ethylene takes place through a one-step mechanism with low activation energy, 5.3 kcal/mol-1. A bonding evolution theory (BET) study indicates that this reaction takes place through a non-…
CCDC 685747: Experimental Crystal Structure Determination
2009
Related Article: P.Gomez-Saiz, R.Gil-Garcia, M.A.Maestro, J.L.Pizarro, M.I.Arriortua, L.Lezama, T.Rojo, M.Gonzalez-Alvarez, J.Borras, J.Garcia-Tojal|2008|J.Inorg.Biochem.|102|1910|doi:10.1016/j.jinorgbio.2008.06.015
CCDC 685750: Experimental Crystal Structure Determination
2009
Related Article: P.Gomez-Saiz, R.Gil-Garcia, M.A.Maestro, J.L.Pizarro, M.I.Arriortua, L.Lezama, T.Rojo, M.Gonzalez-Alvarez, J.Borras, J.Garcia-Tojal|2008|J.Inorg.Biochem.|102|1910|doi:10.1016/j.jinorgbio.2008.06.015
CCDC 685748: Experimental Crystal Structure Determination
2009
Related Article: P.Gomez-Saiz, R.Gil-Garcia, M.A.Maestro, J.L.Pizarro, M.I.Arriortua, L.Lezama, T.Rojo, M.Gonzalez-Alvarez, J.Borras, J.Garcia-Tojal|2008|J.Inorg.Biochem.|102|1910|doi:10.1016/j.jinorgbio.2008.06.015
Structure, magnetic properties and nuclease activity of pyridine-2-carbaldehyde thiosemicarbazonecopper(II) complexes.
2008
New complexes of formulae [Cu(HL 2 )(H 2 O)(NO 3 )](NO 3 ) ( 1 ), [{Cu(L 1 )(tfa)} 2 ] ( 2 ), [{Cu(L 1 )} 2 (pz)](ClO 4 ) 2 ( 3 ) and {[{Cu(L 1 )} 2 (dca)](ClO 4 )} n ( 4 ), where HL 1 = pyridine-2-carbaldehyde thiosemicarbazone, HL 2 = pyridine-2-carbaldehyde 4 N -methylthiosemicarbazone, Htfa = trifluoroacetic acid (CF 3 COOH), pz = pyrazine (C 4 H 4 N 2 ) and dca = dicyanamide [N(CN) 2 ] − , have been synthesized and characterized. The crystal structures of these compounds are built up of monomers ( 1 ), dinuclear entities with the metal centers bridged through the non-thiosemicarbazone coligand ( 2 and 3 ) and 1D chains of dimers ( 4 ). In all the cases, square–pyramidal copper(II) io…
A wide family of pyridoxal thiosemicarbazone ferric complexes: Syntheses, structures and magnetic properties
2009
Abstract This study reports the syntheses and the characterization of 12 ferric complexes of pyridoxal thiosemicarbazone. The richness of the coordination chemistry of this ligand is highlighted by the modulation of its charge from neutral H 2 L to anionic L 2− , thus leading to a wide family of ferric compounds with charge varying from +3 to −1. The structures of complexes [Fe(HL) 2 ]ClO 4 · 2H 2 O and [Fe(HL)L] · 4.5H 2 O were solved and discussed with a particular attention brought to the intermolecular interactions occurring between the complexes. The investigation of magnetic properties of these compounds revealed that two of them are in the HS state at any temperature, whereas the ot…