scholarly journals Microwave - Assisted Synthesis of a Library of Pyrrolo[1,2-c]quinazolines

2019 ◽  
Vol 70 (9) ◽  
pp. 3094-3099 ◽  
Author(s):  
Emilian Georgescu ◽  
Florea Dumitrascu ◽  
Florentina Georgescu ◽  
Constantin Draghici ◽  
Denisa Dumitrescu
Keyword(s):  
Large Range ◽  
Dipolar Cycloaddition ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Synthetic Pathway ◽  
Microwave Assisted ◽  
Rapid Access ◽  
Quinazoline Derivatives ◽  
The One

A library of new pyrrolo[1,2-c]quinazoline derivatives was obtained by the one-pot, three-component microwave-assisted synthesis, starting from quinazolines, 2-bromoacetyl derivatives and electron-deficient alkynes in 1,2-epoxybutane via 1,3-dipolar cycloaddition of quinazolinium N-ylides. This synthetic pathway offers a simple and rapid access to a large range of pyrrolo[1,2-c]quinazoline derivatives.

scholarly journals Design, Microwave-Assisted Synthesis and In Silico Prediction Study of Novel Isoxazole Linked Pyranopyrimidinone Conjugates as New Targets for Searching Potential Anti-SARS-CoV-2 Agents

Molecules ◽  
2021 ◽  
Vol 26 (20) ◽  
pp. 6103
Author(s):  
Faisal K. Algethami ◽  
Maher Cherif ◽  
Salma Jlizi ◽  
Naoufel Ben Ben Hamadi ◽  
Anis Romdhane ◽  
...  
Keyword(s):  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
Microwave Assisted Synthesis ◽  
Dimroth Rearrangement ◽  
One Pot ◽  
Microwave Assisted ◽  
Three Component Reaction ◽  
Key Steps ◽  
Modes Of Interaction ◽  
Native Ligand

A series of novel naphthopyrano[2,3-d]pyrimidin-11(12H)-one containing isoxazole nucleus 4 was synthesized under microwave irradiation and classical conditions in moderate to excellent yields upon 1,3-dipolar cycloaddition reaction using various arylnitrile oxides under copper(I) catalyst. A one-pot, three-component reaction, N-propargylation and Dimroth rearrangement were used as the key steps for the preparation of the dipolarophiles3. The structures of the synthesized compounds were established by 1H NMR, 13C NMR and HRMS-ES means. The present study aims to also predict the theoretical assembly of the COVID-19 protease (SARS-CoV-2 Mpro) and to discover in advance whether this protein can be targeted by the compounds 4a–1 and thus be synthesized. The docking scores of these compounds were compared to those of the co-crystallized native ligand inhibitor (N3) which was used as a reference standard. The results showed that all the synthesized compounds (4a–l) gave interesting binding scores compared to those of N3 inhibitor. It was found that compounds 4a, 4e and 4i achieved greatly similar binding scores and modes of interaction than N3, indicating promising affinity towards SARS-CoV-2 Mpro. On the other hand, the derivatives 4k, 4h and 4j showed binding energy scores (−8.9, −8.5 and −8.4 kcal/mol, respectively) higher than the Mpro N3 inhibitor (−7.0 kcal/mol), revealing, in their turn, a strong interaction with the target protease, although their interactions were not entirely comparable to that of the reference N3.

Novel bipodal, tripodal, and tetrapodal 1,4-dihydropyridines — Microwave-assisted synthesis and structural confinements

2011 ◽  
Vol 89 (10) ◽  
pp. 1236-1244 ◽  
Author(s):  
Kancherla Rajesh ◽  
Bandapalli Palakshi Reddy ◽  
Vijayaparthasarathi Vijayakumar
Keyword(s):  
Ammonium Acetate ◽  
Alkylating Agents ◽  
Building Blocks ◽  
2D Nmr ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted ◽  
Three Component Reaction ◽  
The One

The one pot, three component reaction of p-hydroxy benzaldehyde, β-ketoester, and ammonium acetate afforded the corresponding monopodal 1,4-dihydropyridines as building blocks, which in turn converted into diversified novel bipodal, tripodal, and tetrapodal 1,4-dihydropyridines with different alkylating agents through conventional as well as microwave assisted reactions. The unambiguous structural confinements of the all the synthesized compounds were drawn out with the help of 2D NMR (H-H COSY and C-H COSY).

Efficient One-pot microwave-assisted Synthesis and Spectroscopic Characterization of Novel Antitumor and Antimicrobial Hydroxypyrrolidin2-ones

2018 ◽  
Vol 35 (part 1) ◽  
pp. 1-16
Author(s):  
Eman Azmy ◽  
Boshra Awad ◽  
Halima Hefni ◽  
Hanaa Saad ◽  
Affaf Eltoukhy ◽  
...  
Keyword(s):  
Spectroscopic Characterization ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted

scholarly journals One-Pot Microwave-Assisted Synthesis of Water-Soluble Pyran-2,4,5-triol Glucose Amine Schiff Base Derivative: XRD/HSA Interactions, Crystal Structure, Spectral, Thermal and a DFT/TD-DFT

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 117
Author(s):  
Yousef Hijji ◽  
Rajeesha Rajan ◽  
Hamdi Ben Yahia ◽  
Said Mansour ◽  
Abdelkader Zarrouk ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Orbital ◽  
Density Functional ◽  
Condensation Reaction ◽  
3D Structure ◽  
Water Soluble ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted ◽  
Td Dft

The(3R,4R,6R)-3-(((E)-2-hydroxybenzylidene)amino)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol water-soluble Glucose amine Schiff base (GASB-1) product was made available by condensation of 2-hydroxybenzaldehyde with (3R,6R)-3-amino-6-(hydroxymethyl)-tetra-hydro-2H-pyran-2,4,5-triol under mono-mode microwave heating. A one-pot 5-minute microwave-assisted reaction was required to complete the condensation reaction with 90% yield and without having byproducts. The 3D structure of GASB-1 was solved from single crystal X-ray diffraction data and computed by DFT/6-311G(d,p). The Hirshfeld surface analysis (HSA), molecular electronic potential (MEP), Mulliken atomic charge (MAC), and natural population analysis (NPA) were performed. The IR and UV-Vis spectra were matched to their density functional theory (DFT) relatives and the thermal behavior was resolved in an open-room condition via thermogravimetry/Derivative thermogravimetry (TG/DTG) and differential scanning calorimetry (DSC). The highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO), density of state (DOS), and time-dependence TD-DFT computations were correlated to the experimental electron transfer in water and acrylonitrile solvents.

Rapid Access to Novel 1,2,3-Triazolo-Heterocyclic Scaffolds via Tandem Knoevenagel Condensation/Azide–Alkyne 1,3-Dipolar Cycloaddition Reaction in One Pot

2014 ◽  
Vol 16 (9) ◽  
pp. 466-477 ◽  
Author(s):  
Ram Awatar Maurya ◽  
Praveen Reddy Adiyala ◽  
D. Chandrasekhar ◽  
Chada Narsimha Reddy ◽  
Jeevak Sopanrao Kapure ◽  
...  
Keyword(s):  
Knoevenagel Condensation ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
One Pot ◽  
Rapid Access

Microwave-assisted synthesis of 1-aryl-1H-indazoles via one-pot two-step Cu-catalyzed intramolecular N-arylation of arylhydrazones

2005 ◽  
Vol 46 (44) ◽  
pp. 7553-7557 ◽  
Author(s):  
Chittari Pabba ◽  
Hong-Jun Wang ◽  
Susan R. Mulligan ◽  
Zhen-Jia Chen ◽  
Todd M. Stark ◽  
...  
Keyword(s):  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted
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