Search results for: H. Garmes

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Garmes</title> <meta name="description" content="Search results for: H. Garmes"> <meta name="keywords" content="H. Garmes"> <meta name="viewport" content="width=device-width, initial-scale=1, minimum-scale=1, maximum-scale=1, user-scalable=no"> <meta charset="utf-8"> <link href="https://cdn.waset.org/favicon.ico" type="image/x-icon" rel="shortcut icon"> <link href="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/css/bootstrap.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/plugins/fontawesome/css/all.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/css/site.css?v=150220211555" rel="stylesheet"> </head> <body> <header> <div class="container"> <nav class="navbar navbar-expand-lg navbar-light"> <a class="navbar-brand" href="https://waset.org"> <img src="https://cdn.waset.org/static/images/wasetc.png" alt="Open Science Research Excellence" title="Open Science Research Excellence" /> </a> <button class="d-block d-lg-none navbar-toggler ml-auto" type="button" data-toggle="collapse" data-target="#navbarMenu" aria-controls="navbarMenu" aria-expanded="false" aria-label="Toggle navigation"> <span class="navbar-toggler-icon"></span> </button> <div class="w-100"> <div class="d-none d-lg-flex flex-row-reverse"> <form method="get" action="https://waset.org/search" class="form-inline my-2 my-lg-0"> <input class="form-control mr-sm-2" type="search" placeholder="Search Conferences" value="H. 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Garmes"> <input type="submit" class="btn_search" value="Search"> </div> </div> </form> </div> </div> <div class="row mt-3"> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Commenced</strong> in January 2007</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Frequency:</strong> Monthly</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Edition:</strong> International</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 4</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: H. Garmes</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">4</span> Exploitation of the Solvent Effect and the Mechanism of the Cycloaddition Reaction Between 2-Chlorobenzimidazole and Benzonitrile N-Oxide</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20Abdoul-Hakim">M. Abdoul-Hakim</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Zeroual"> A. Zeroual</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Garmes"> H. Garmes</a> </p> <p class="card-text"><strong>Abstract:</strong></p> 2-Chlorobenzimidazoles are amphoteric compounds and versatile intermediates for the construction of polycyclic heterocycles. In this theoretical study performed by DFT at the B3LYP/6-311+G(d,p) level, we showed that the most likely route to obtain benzimidazo[1,2-d]oxadiazole from the reaction of 2-Chlorobenzimidazole with benzonitrile N-oxide involves the presence of anionic species, a concerted mechanism is not possible. The inclusion of the effect of the polar protic solvent (MeOH) favors the course of the reaction. The key interactions causing bond formation and breakage were identified by ELF topological analysis. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=benzimidazo%5B1" title="benzimidazo[1">benzimidazo[1</a>, <a href="https://publications.waset.org/abstracts/search?q=2-d%5Doxadiazole" title=" 2-d]oxadiazole"> 2-d]oxadiazole</a>, <a href="https://publications.waset.org/abstracts/search?q=benzonitrile%20N-oxide" title=" benzonitrile N-oxide"> benzonitrile N-oxide</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT" title=" DFT"> DFT</a>, <a href="https://publications.waset.org/abstracts/search?q=ELF" title=" ELF"> ELF</a>, <a href="https://publications.waset.org/abstracts/search?q=polycyclic%20heterocycles" title=" polycyclic heterocycles"> polycyclic heterocycles</a> </p> <a href="https://publications.waset.org/abstracts/148777/exploitation-of-the-solvent-effect-and-the-mechanism-of-the-cycloaddition-reaction-between-2-chlorobenzimidazole-and-benzonitrile-n-oxide" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/148777.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">101</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3</span> Theoretical Evaluation of the Preparation of Polycyclic Benzimidazole Derivatives</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20Abdoul-Hakim">M. Abdoul-Hakim</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Zeroual"> A. Zeroual</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Garmes"> H. Garmes</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In this work, the reaction of 2-chlorobenzimidazole with two distinct 1,3-dipoles such as benzonitrile N-oxide and an azomethine imine was carried out by DFT at the B3LYP/6-311+G(d, p) level to understand the effect of solvent (MeOH). The results show that MeOH has a significant effect on the evolution of the reaction. The charge transfer interactions n(O) → σ*(C-Cl), n(N)→σ*(C-Cl) and σ(N-C) →σ*(C-Cl) stabilize the transition states in an intramolecular nucleophilic substitution (SNi) step of the imidoyl group. Finally, this study provides a theoretical basis for the design of different polycyclic benzimidazole. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=azomethine%20imine" title="azomethine imine">azomethine imine</a>, <a href="https://publications.waset.org/abstracts/search?q=benzonitrile%20N-oxide" title=" benzonitrile N-oxide"> benzonitrile N-oxide</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT" title=" DFT"> DFT</a>, <a href="https://publications.waset.org/abstracts/search?q=intramolecular%20nucleophilic%20substitution%20%28SNi%29" title=" intramolecular nucleophilic substitution (SNi)"> intramolecular nucleophilic substitution (SNi)</a>, <a href="https://publications.waset.org/abstracts/search?q=polycyclic%20benzimidazole" title=" polycyclic benzimidazole"> polycyclic benzimidazole</a> </p> <a href="https://publications.waset.org/abstracts/148584/theoretical-evaluation-of-the-preparation-of-polycyclic-benzimidazole-derivatives" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/148584.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">123</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">2</span> Theoretical Evaluation of the Effect of Solvent on the Feasibility of the Reaction of 2-Chlorobenzimidazole With Four N,N′-Cyclic Azomethine Imines to Construct Polycyclic Benzimidazoles</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Abdoul-Hakim">Mohamed Abdoul-Hakim</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Zeroual"> A. Zeroual</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Garmes"> H. Garmes</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In this work, we theoretically evaluated the reactivity of four 4-methyl-3-oxo-1,2-pyrazolidinium ylides with 2-Chlorobenzimidazole in MeOH in basic medium using DFT at the B3LYP/6-311+G(d,p) level. The analysis of the results shows that apart from its ability to retain its electrons, the deprotonated 2-Chlorobenzimidazole has a higher nucleophilic character. The reaction requires energy input to initiate the nucleophilic attack of the 2-Chlorobenzimidazole anion, and the inclusion of the solvent effect facilitates the formation of two regioisomers via an intramolecular vinyl nucleophilic substitution (SNVi). The transition states of this latter step are stabilized by charge transfer interactions σ(N-C) →σ*(C-Cl) for the more favorable regioisomer and n(N)→σ*(C-Cl) for the other regioisomer. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=benzonitrile%20N-oxide" title="benzonitrile N-oxide">benzonitrile N-oxide</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT" title="DFT">DFT</a>, <a href="https://publications.waset.org/abstracts/search?q=intramolecular%20vinyl%20nucleophilic%20substitution%20%28SNVi%29" title=" intramolecular vinyl nucleophilic substitution (SNVi)"> intramolecular vinyl nucleophilic substitution (SNVi)</a>, <a href="https://publications.waset.org/abstracts/search?q=4-methyl-3-OXO-1" title=" 4-methyl-3-OXO-1"> 4-methyl-3-OXO-1</a>, <a href="https://publications.waset.org/abstracts/search?q=2-pyrazolidinium%20ylides" title=" 2-pyrazolidinium ylides"> 2-pyrazolidinium ylides</a> </p> <a href="https://publications.waset.org/abstracts/148778/theoretical-evaluation-of-the-effect-of-solvent-on-the-feasibility-of-the-reaction-of-2-chlorobenzimidazole-with-four-nn-cyclic-azomethine-imines-to-construct-polycyclic-benzimidazoles" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/148778.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">139</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">1</span> Theoretical Evaluation of Oxirane and Aziridine Opening Regioselectivity, Solvent Effect, and Strength of Nucleophilic and Nucleofugal Groups for the Preparation of Benzimidazole-Fused 1,4-Benzoxazepine</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20Abdoul-Hakim">M. Abdoul-Hakim</a>, <a href="https://publications.waset.org/abstracts/search?q=a.%20Zeroual">a. Zeroual</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Garmes">H. Garmes</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In a route for the preparation of 1,4-benzoxazepine fused to benzimidazole, the use of 2-(2-methoxyphenyl)-benzimidazole or styrene-derived N-tosylaziridine does not give the desired products. On this basis, we theoretically studied this reaction using DFT at the B3LYP/6-31+G(d) level. The analysis of the results shows a preferential nucleophilic attack of 2-(2-fluorophenyl)-benzimidazole on the terminal carbon atom of the Alkylepoxides and on the substituted carbon of N-tosylaziridine. Taking into account the solvent effect (DMF) makes the reactions spontaneous for the opening of epoxides and N-tosylaziridine and disfavors the intramolecularnucleophilic aromatic substitution reaction step of the products of the attack of 2-(2-methoxyphenyl)benzimidazole on an epoxide and those of the opening of N-tosylaziridine, which is consistent with the experiment. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=alkylepoxides" title="alkylepoxides">alkylepoxides</a>, <a href="https://publications.waset.org/abstracts/search?q=4-benzoxazepine%20fused%20to%20benzimidazole%20imine" title=" 4-benzoxazepine fused to benzimidazole imine"> 4-benzoxazepine fused to benzimidazole imine</a>, <a href="https://publications.waset.org/abstracts/search?q=benzonitrile%20N-oxide" title=" benzonitrile N-oxide"> benzonitrile N-oxide</a>, <a href="https://publications.waset.org/abstracts/search?q=DFT" title=" DFT"> DFT</a>, <a href="https://publications.waset.org/abstracts/search?q=intramolecular%20nucleophilic%20aromatic%20substitution" title=" intramolecular nucleophilic aromatic substitution"> intramolecular nucleophilic aromatic substitution</a>, <a href="https://publications.waset.org/abstracts/search?q=N-tosyl%20aziridine" title=" N-tosyl aziridine"> N-tosyl aziridine</a> </p> <a href="https://publications.waset.org/abstracts/148785/theoretical-evaluation-of-oxirane-and-aziridine-opening-regioselectivity-solvent-effect-and-strength-of-nucleophilic-and-nucleofugal-groups-for-the-preparation-of-benzimidazole-fused-14-benzoxazepine" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/148785.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">142</span> </span> </div> </div> </div> </main> <footer> <div id="infolinks" class="pt-3 pb-2"> <div 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Search results for: H. Garmes