Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
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Ruchi Bharti

Department of Chemistry, UIS, Chandigarh University, Mohali, Punjab-140413, India


  • Research   
    Microwave-assisted multicomponent synthesis of Pyrrolo[2,3-d] pyrimidinone derivatives and their DFT calculations
    Author(s): Ashish Kumar Panda, Ruchi Bharti*, Ajay Thakur, Monika Verma and Renu Sharma

    Herein, we have reported a green and environmentally benign methodology for synthesizing novel pyrrolo[2,3-d] pyrimidine derivatives under microwave-assisted reaction conditions. The desired product was obtained with an excellent yield (80-90%) within 30 minutes only. The characteristic features of this protocol were the use of green reaction conditions, high atom economy, less reaction time, excellent yields, no use of specific purification processes, no column chromatography, etc. Later, theoretical studies like DFT were also performed on each newly synthesized product (4a-e) using B3LYP (Becke-Lee-Yang-Parr) functional and 6-31+G (d,p) to get spot onto the geometry, electronic transitions, and spectroscopic properties theoretically that has been compared with the encountered experimental ones. The molecular electrostatic potential surface, Band gap (δE), Chemical Potenti.. Read More»
    DOI: 10.4172/0975-413X.15.3.52-61

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