Computational Sciences - Research Publications

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    Supported-Pd catalyzed tandem approach for N-arylbenzamides synthesis
    (Elsevier B.V., 2021-11-21T00:00:00) Sheetal; Sharma, Ajay Kumar; Shaifali; Bhattacherjee, Dhananjay; Sharma, Navneet; Giri, Kousik; Das, Pralay
    Aryl iodides as dual arylating agent for C-terminal from oxalic acid [(CO2H)2] and N-terminal from sodium azide (NaN3) for N-aryl benzamides (Ar-CO-NH-Ar) synthesis is a rare invention which has been attempted successfully under this study. A single step tandem approach for the synthesis of N-aryl benzamides has been developed through bifunctional transformation of aryl iodides with in-situ CO from (CO2H)2 and NaN3 following two different pathways of carbonylation and azidation. The polystyrene supported palladium (Pd@PS) catalyst was found to be well compatible to perform the domino-reaction in a double layer vial (DLV) system under base, ligand and additive-free conditions. Moreover, the same approach was further extended with aryl azides for unsymmetric N-aryl benzamides (Ar-CO-NH-Ar') synthesis. Furthermore, the DFT studies were also performed to support the proposed mechanism. � 2021