Green Synthesis of Novel Chalcone Derivatives, Characterization and its Antibacterial Activity

Rani, M. Sandhya; Rohini, C.; Keerthi, B. Sai; Mamata, C.

doi:10.5958/2349-2988.2019.00028.7

Cited by 2 publications

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“…Green chemistry has advanced in recent years and many methods have been modified in order increase the reaction efficiency and reduce waste material. [68][69][70][71][72][73][74][75] Many methods have been accounted for the synthesis of chalcones; but still, the most common method which is being used for the synthesis of chalcones is Claisen-Schmidt condensation. 5 The field of DFT has attracted researchers due to its wide applications in structural chemistry.…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Studies on the Molecular Structure, FT-IR, NMR, HOMO, LUMO, MESP, and Reactivity Descriptors of (E)-1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Shinde¹,

Adole

Jagdale³

et al. 2020

Mat. Sci. Res. India

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The present research deals with the synthesis, characterization and density functional theory (DFT) study of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (DTMPP). For the computational investigation, DFT method at B3LYP/6-311++G(d,p) basis set has been used. Herein, structural properties like molecular structure, bond lengths, and bond angles of the DTMPP have been explored. The all-important examination of the electronic properties; HOMO and LUMO energies were studied by the time-dependent DFT (TD-DFT) method. The experimental and theoretical spectroscopic Investigation on FT-IR, 1HNMR, 13C NMR has been unveiled in the present research. To study the chemical behaviour of the DTMPP, Mulliken atomic charges, molecular electrostatic surface potential, and reactivity descriptors have been explored. The dipole moment of the DTMPP is 1.27 Debye with C1 point group symmetry and -1225.77 a.u. E(B3LYP) energy. The most electropositive carbon and hydrogen atoms in the DTMPP are C14 and H27 respectively. The C1-C6 bond is the longest (1.4089 Å) C=C bond in the DTMPP. The oxygen atom O33 is having short contact interaction with the hydrogen atom H44 with a distance of 3.3258 Å. The molecular electrostatic potential plot predicts the positive electrostatic potential is around hydrogen atoms. The FT-IR assignments were made by comparing the experimental FT-IR absorption peaks with the scaled frequencies obtained using DFT method. Furthermore, some valuable insights on thermochemical data are obtained using the harmonic frequencies at same basis set.

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Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Studies on the Molecular Structure, FT-IR, NMR, HOMO, LUMO, MESP, and Reactivity Descriptors of (E)-1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Shinde¹,

Adole

Jagdale³

et al. 2020

Mat. Sci. Res. India

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A Facile Synthesis of Octadecanoic acid [4-(3-phenyl-acryloyl)-phenyl]-amides and their Antimicrobial Activity

Tsurho

Maddela

2022

RJPT

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A new series of octadecanoic acid [4-(3-phenyl-acryloyl)-phenyl]-amide chalcone derivatives under base-catalyzed Claisen-Schmidt condensation were design, synthesized and characterized by spectral analysis (IR, MS, 1H-NMR, 13C-NMR). All the synthesized compounds were evaluated for their in vitro antimicrobial activity against two bacterial strains, Escherichia coli and Staphylococcus aureus and two fungal strains, Penicillium italicum and Fusarium oxysporum using the well-diffusion method. The antimicrobial studies revealed that compounds 3a, 3b, 3c and 3d showed promising antibacterial activity against both the bacterial strains, while compound 3c and 3d exhibited good antifungal activity against both the fungal strains.

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Green Synthesis of Novel Chalcone Derivatives, Characterization and its Antibacterial Activity

Cited by 2 publications

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Experimental and Theoretical Studies on the Molecular Structure, FT-IR, NMR, HOMO, LUMO, MESP, and Reactivity Descriptors of (E)-1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Experimental and Theoretical Studies on the Molecular Structure, FT-IR, NMR, HOMO, LUMO, MESP, and Reactivity Descriptors of (E)-1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

A Facile Synthesis of Octadecanoic acid [4-(3-phenyl-acryloyl)-phenyl]-amides and their Antimicrobial Activity

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