International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Since Year 2012 | Open Access | Fully Refereed | Peer Reviewed

ISSN: 2319-7064




Downloads: 1

Research Paper | Chemistry | India | Volume 10 Issue 11, November 2021


Synthesis of a Novel5, 7-Dichloroto-2-(3, 4-Dimethoxyphenyl)-8-Hydroxy-4h-Chromen-4-One, its Characterization and DFT Study

Nirwan Ramesh Shankar


Abstract: Flavonoid Compound is one of the most important biologically active heterocyclic compounds. In view of this, a flavone; 6, 8-dichloro-2-(3, 4-dimethoxyphenyl)-4H-chromen-4-one (DDP) has been synthesized, characterized by 1H NMR, FT-IR and mass spectral analysis. It is studied by using density functional theory (DFT) at B3LYP/6311++G (d, p) basis set. The geometry of the DDP molecule has been optimized by using B3LYP/6-311++G (d, p) basis set and structural parameters on bond lengths and bond angles has been discussed. The FT-IR, 1HNMR and mass spectra of the title compound has been carried out by experiment. Highest Occupied Molecular Orbital and Lowest Unoccupied Molecular Orbital analysis and various quantum chemical parameters are calculated and discussed for the better understanding of behavior of the this molecule.


Keywords: Flavone, 1HNMR, FT-IR, (DFT) at B3LYP/6311++G(d,p) basis set and Chromen


Edition: Volume 10 Issue 11, November 2021,


Pages: 1428 - 1434

Synthesis of a Novel5, 7-Dichloroto-2-(3, 4-Dimethoxyphenyl)-8-Hydroxy-4h-Chromen-4-One, its Characterization and DFT Study


How to Cite this Article?

Nirwan Ramesh Shankar, "Synthesis of a Novel5, 7-Dichloroto-2-(3, 4-Dimethoxyphenyl)-8-Hydroxy-4h-Chromen-4-One, its Characterization and DFT Study", International Journal of Science and Research (IJSR), https://www.ijsr.net/get_abstract.php?paper_id=SR211126140600, Volume 10 Issue 11, November 2021, 1428 - 1434, #ijsrnet

How to Share this Article?

Enter Your Email Address




Similar Articles with Keyword 'Flavone'

Downloads: 1

Research Paper, Chemistry, Sudan, Volume 10 Issue 5, May 2021

Pages: 444 - 448

Isolation and Structural Elucidation of three Substituted Flavones from Croton Zambesicus (Mull) Fruit and Leaves

Mustafa S.Koya | Nada A. Elamin [2] | Zeinab A. Elrabei [2]

Share this Article

Downloads: 108

Research Paper, Chemistry, India, Volume 5 Issue 8, August 2016

Pages: 1458 - 1464

Studies on the Phytochemistry, Spectroscopic Characterization and Antibacterial Efficacy of Sida cordifolia(Linn)

Bibhu Prasad Sahu | Panchanan Gouda | Chakrapani Patnaik

Share this Article


Top