New Rh derivatives of s-indacene active in dehydrogenative silylation of styrene

Esponda, Edgardo; Adams, Christopher; Burgos, Francisco Sánchez; Chávez, Ivonne; Manríquez, J.; Delpech, Fabien; Castel, Annie; Gornitzka, Heinz; Rivière-Baudet, Monique; Rivière, P.

doi:10.1016/j.jorganchem.2006.03.009

Cited by 37 publications

(45 citation statements)

References 29 publications

(31 reference statements)

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“…At this point, a competition between this two disilylation processes appears the most credible hypothesis to explain the observed major formation of P 4 . To verify this hypothesis experimentally, we studied the silylation of the monosilylated compound P 1 on which no simultaneous process could occur.…”

Section: ∆E(b-mentioning

confidence: 78%

“…It appears that only a cis/Li approach of trimethylchlorosilane to G and H can lead to transition states, respectively, T 4 and T 5 (of almost the same stability, Scheme 12), yielding the disilylated stereo isomers P 3 and P 4 (also having the same stability, Scheme 12). Therefore, the two step process of disilylation of P 0 should give two diastereoisomers, P 3 and P 4 , in equivalent amounts, which was not the experimental result.…”

Section: ∆E(b-mentioning

confidence: 99%

“…One is a solid, P 4 , and the other, P 3 , a liquid. The trans derivative, P 4 (a meso isomer), was identified by X-ray diffraction analysis ( Fig.…”

mentioning

confidence: 99%

“…Table 1 shows that a change in the experimental conditions leads to a change in the ratio P 3 :P 4 . When trimethylchlorosilane is added to the dilithium compound of P 0 , the reaction occurs with a low concentration of Me 3 SiCl and leads to the lowest yield of P 4 , while an inverse addition leads to the highest yield of P 4 .…”

mentioning

confidence: 99%

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Regio‐ and stereo‐selectivity in the silylation of 2,6‐diethyl‐3,4,7,8‐tetramethyl‐1,5‐dihydro‐s‐indacene

Dahrouch

Burgos

Castel

et al. 2006

Applied Organom Chemis

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Section: ∆E(b-mentioning

confidence: 78%

Section: ∆E(b-mentioning

confidence: 99%

“…One is a solid, P 4 , and the other, P 3 , a liquid. The trans derivative, P 4 (a meso isomer), was identified by X-ray diffraction analysis ( Fig.…”

mentioning

confidence: 99%

mentioning

confidence: 99%

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Regio‐ and stereo‐selectivity in the silylation of 2,6‐diethyl‐3,4,7,8‐tetramethyl‐1,5‐dihydro‐s‐indacene

Dahrouch

Burgos

Castel

et al. 2006

Applied Organom Chemis

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“…A large variety of transition metals homobinuclear complexes have been described including Fe, Co, Ni, Ru, Rh, Re, and Mn. Also, heterobinuclear complexes with combinations of metals such as Rh-Ru, Fe-Ru, Fe-Rh, Ru-Rh, F-Co, and Cr-Ni have been reported [5][6][7][8]. The most striking feature of this family of binuclear complexes is the ability to delocalize charge among metal centers upon oxidation.…”

Section: Introductionmentioning

confidence: 99%

Study of the Molecular Properties of Mono- and Binuclear Metal s-Indacenyl Complexes with Ir, Rh, and Re: A Theoretical Approach

Zárate

Schott

Bunel

et al. 2017

Journal of Chemistry

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Density functional theory (DFT) calculations were performed on a new family of mono-and bimetallic complexes, containing 4,8-([10]paracyclophane)-1,5-dihydro-s-indacene as the bridging ligand between the two metallic centers and different ancillary ligands. The s-indacene was blocked by substitution of the central benzene ring with the [10]paracyclophane to obtain the synconformations. This would force the metallic centers to be close together. It is proposed, due to the calculated molecular and electronic properties such as the reactivity indexes, the delocalized nature of the s-indacenyl ligand, and the electron-rich metals, that these systems could be reactive in a catalytic reaction. The results indicate that the systems with Rh and Re holding ancillary ligands such as bipy and CO show the best properties to be active in a chemical reaction. In this sense, by the assessed geometrical and electronic properties, when compared with a previously reported system, these complexes could be candidates for the reduction of CO 2 to oxalate.

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Design, synthesis, structure elucidation, antimicrobial, molecular docking, and SAR studies of novel urea derivatives bearing tricyclic aromatic hydrocarbon rings

Sroor,

El‐Sayed,

Abdelraof

2024

Archiv der Pharmazie

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The targeted compounds were prepared using both (9H‐fluoren‐9‐ylidene)hydrazine (1) and 10H‐phenothiazine (2) as starting materials. The treatment of 1 or 2 with different isocyanates afforded the title compounds 7a–d, 8a, and 8b in excellent yield. All compounds were characterized and ascertained by infrared, nuclear magnetic resonance, and elemental analyses as well as single‐crystal X‐ray diffraction. The antimicrobial efficiency of all was tested in vitro, and a noticeable inhibition activity against Bacillus subtilis, Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumoniae, and Candida albicans was obtained by compounds 7a, 7b, 8a, and 8b. Moreover, the biofilm mechanism activity was strongly inhibited by compounds 7b and 8b for all bacterial pathogens, with a percentage ratio of more than 55%. The findings from the molecular docking simulation revealed that compounds 7a, 7b, 8a, and 8b exhibited favorable binding energies and interacted effectively with the active sites of sterol 14‐demethylase, dihydropteroate synthase, gyrase B, LasR (major transcriptional activator of P. aeruginosa), and carbapenemase for C. albicans, S. aureus, B. subtills, K. pneumoniae, and P. aeruginosa, respectively. These results suggest that the compounds have the potential to inhibit the activity of these enzymes and demonstrate promising antimicrobial properties. Moreover, the in silico evaluation of drug likeness and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles for compounds 7a, 7b, 8a, and 8b demonstrated their compatibility with Lipinski's, Ghose's, Veber's, Muegge's, and Egan's rules. These findings suggest that these compounds possess favorable physicochemical properties, making them promising candidates for continued drug development efforts.

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New Rh derivatives of s-indacene active in dehydrogenative silylation of styrene

Cited by 37 publications

References 29 publications

Regio‐ and stereo‐selectivity in the silylation of 2,6‐diethyl‐3,4,7,8‐tetramethyl‐1,5‐dihydro‐s‐indacene

Regio‐ and stereo‐selectivity in the silylation of 2,6‐diethyl‐3,4,7,8‐tetramethyl‐1,5‐dihydro‐s‐indacene

Study of the Molecular Properties of Mono- and Binuclear Metal s-Indacenyl Complexes with Ir, Rh, and Re: A Theoretical Approach

Design, synthesis, structure elucidation, antimicrobial, molecular docking, and SAR studies of novel urea derivatives bearing tricyclic aromatic hydrocarbon rings

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