A new article with the Tunisian group has been accepted!

Hydrothermal synthesis of CoII chiral inorganic-organic complex: Structural, thermal and catalytic evaluation, Maatar Ben Salah, A.; Herrera, R. P.; Naïli, H. J. Mol. Struct. 2018https://doi.org/10.1016/j.molstruc.2018.04.002

Abstract. By heating the cobalt chloride hexahydrate (CoCl2·6H2O) with the R form of the organic amine α-methylbenzylamine (C8H11N) under hydro(solvo)thermal conditions, we have successfully generated the corresponding non-centrosymmetric homochiral hybrid tris(α-methylbenzylammonium tetrachloridocobaltate chloride [R-(C8H12N)3][CoCl4]Cl abbreviated R(MBA)Co. We present the growth conditions together with a characterization of the single crystals by means of X-ray single-crystal diffraction, Fourier-transform infrared, TG/TDA thermal decomposition and catalytic properties. This inorganic–organic hybrid compound crystallizes in the chiral space group P21 and exhibits a supramolecular-layered organization wherein a double layer of (R)-methylbenzylammonium cations and the uncoordinated chloride anions are sandwiched between anionic layers, formed by isolated tetrachloridocobaltate tetrahedra. The crystal packing is governed by a three-dimensional network of N/C—H···Cl hydrogen bonds between the inorganic and organic moieties and C-H···π interactions between the aromatic rings of the organic moieties themselves. Thermal analysis discloses a phase transition at the temperature 130 °C. The Co complex was also employed as suitable catalyst activating the acetal formation reaction of aldehydes using MeOH as solvent and as the unique source of acetalisation.

KeywordsChiral;  non-centrosymmetrichybrid;  hydrogen bondsphase transitioncatalytic properties

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New article published in collaboration with Prof. Houcine Naïli!

Synthesis, structural determination and antimicrobial evaluation of two novel CoII and ZnII halogenometallates as efficient catalysts for the acetalization reaction of aldehydes, Maatar Ben Salah, A.; Belghith Fendri, L.; Bataille, T.; Herrera, R. P.; Naïli, H. Chem. Cent. J. 2018, https://doi.org/10.1186/s13065-018-0393-6

Abstract
Background: Complexes of imidazole derivatives with transition metal ions have attracted much attention because of their biological and pharmacological activities, such as antimicrobial, antifungal, antiallergic, antitumoural and antimetastatic properties. In addition, imidazoles occupy an important place owing to their meaningful catalytic activity in several processes, such as in hydroamination, hydrosilylation, Heck reaction and Henry reaction. In this work, we describe the crystallization of two halogenometallate based on 2-methylimidazole. Their IR, thermal analysis, catalytic properties and antibacterial activities have also been investigated.
Results: Two new isostructural organic-inorganic hybrid materials, based on 2-methyl-1H-imidazole, 1 and 2, were synthesized and fully structurally characterized. The analysis of their crystal packing reveals non-covalent interactions, including C/N–H···Cl hydrogen bonds and π···π stacking interactions, to be the main factor governing the supramolecular assembly of the crystalline complexes. The thermal decomposition of the complexes is a mono-stage process, confrmed by the three-dimensional representation of the powder difraction patterns (TDXD). The catalytic structure exhibited promising activity using MeOH as solvent and as the unique source of acetalization. Moreover, the antimicrobial
results suggested that metal-complexes exhibit signifcant antimicrobial activity.
Conclusion: This study highlights again the structural and the biological diversities within the feld of inorganic–organic hybrids.
Keywords: Halogenometallate, X-ray difraction, Thermal analysis, Antibacterial activities, Hydrogen bonds, Supramolecular architecture, Catalysis

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Trapping carbocations…

A new article has just been published. Thank you to everyone, and congratulations!

Functionalization of π-activated alcohols by trapping carbocations in pure water under smooth conditions, Ortiz, R.; Koukouras, A.; Marqués-López, E.; Herrera, R. P. Arab. J. Chem. 2018, https://doi.org/10.1016/j.arabjc.2018.01.022

Abstract. Acetic acid as catalyst in pure water was found to be an excellent reaction medium for the direct dehydrative functionalization of π-activated alcohols using a wide variety of interesting C-, P-, and S-centered nucleophiles, such as indoles, pyrrole, anilines, 1,3-dicarbonyl compounds, diphenyl phosphite and pyridine-2-thiol. The smooth reaction conditions, along with high yields, short reaction times, clean reaction crudes, an easy product isolation procedure, plus the reusability of the catalyst and the use of no excess of nucleophiles, make this approach an atom economical, green and appealing method to efficiently trap carbocations in pure water, leading to new Csp3–X bonds (X = Csp2, Csp3, P and S).

Keywordsπ-activated alcoholsBrønsted acidcarbocationdehydrative substitutionwater

Posted in Eugenia Marqués-López, Guest, Internship, Publication, Raquel P. Herrera, Research, Visit | Tagged , , , , , , , , , , , , , | Leave a comment

A new article has been accepted for publication, CONGRATULATIONS!!

“Functionalization of π-activated alcohols by trapping carbocations in pure water under smooth conditions”, R. Ortiz, A. Koukouras, E. Marqués-López, R. P. Herrera, Arab. J. Chem. 2018, accepted.

Abstract: Acetic acid as catalyst in pure water was found to be an excellent reaction medium for the direct dehydrative functionalization of π-activated alcohols using a wide variety of interesting C-, P-, and S-centered nucleophiles, such as indoles, pyrrole, anilines, 1,3-dicarbonyl compounds, diphenyl phosphite and pyridine-2-thiol. The smooth reaction conditions, along with high yields, short reaction times, clean reaction crudes, an easy product isolation procedure, plus the reusability of the catalyst and the use of no excess of nucleophiles, make this approach an atom economical, green and appealing method to efficiently trap carbocations in pure water, leading to new Csp3–X bonds (X = Csp2, Csp3, P and S).

Keywords: π-activated alcohols; Brønsted acid; carbocation; dehydrative substitution; water.

 

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One of our articles in the 1% of the best articles of the Academic area of Pharmacology & Toxicology

Asymmetric Organocatalysis in Total Synthesis – A Trial by Fire. Marqués-López, E.; Herrera, R. P.; Christmann, M. Nat. Prod. Rep. 2010, 27, 1138-1167.

From September / October 2017, this much-cited article received enough cites to be included in the 1% of the best articles of the Academic area of Pharmacology & Toxicology based on a threshold of articles very cited for the area and the year of publication. (Data of Essential Science Indicators).

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Juanvi became a Dr.

Last December, 15th Juanvi defended his PhD thesis with great honors.
We are really proud of you.

Good luck and enjoy life!

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Alfonso Jr. has been born!

All the best for you, my little angel.
I love you.

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Young researchers meet in Badajoz and discuss about CHEMISTRY

HOCA PhD students joined last week, the XIV Simposio de Investigadores Jóvenes de la RSEQ, celebrated in Badajoz (Spain).

Juanvi gave a talk about “PUSH-PULL” π+/π- (PPππ) SYSTEMS: A NEW TYPE OF INTERACTION SYSTEM IN CATALYSIS.

Fernando and Isaac presented their posters about ORGANOCATALYTIC SYNTHESIS OF 4H-PYRAN DERIVATIVES and SYNTHESIS OF ENANTIOMERICALLY ENRICHED β-NITROHYDRAZIDAS, respectively.

 

 

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A new “visiting student” in our lab

Hunting a Pokemon while setting up reactions…

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Juanvi joined the UPPA-UPV / EHU Transboundary Doctorials

Juanvi has been in Arantzazu (Gipuzkoa), from October 16th to 19th working with other PhD students in the “Doctoriales transfronterizos UPPA-UPV/EHU” (UPPA-UPV / EHU Transboundary Doctorials), organized by the Master’s and Doctorate School of the UPV / EHU (MDe), in collaboration with the University of Pau et des Pays de l’Adour (UPPA).

He met a lot of new people, and learnt a lot in these intensive days.

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