Safety of 1-(4-Nitrophenyl)ethanone. I found the field of Chemistry very interesting. Saw the article Synthesis, Spectroscopic Characterization, DFT Calculations and Preliminary Antifungal Activity of New Piperine Derivatives published in 2021.0, Reprint Addresses Barbosa, JM (corresponding author), Univ Fed Paraiba, Dept Ciencias Farmaceut, BR-58051900 Joao Pessoa, PB, Brazil.. The CAS is 100-19-6. Through research, I have a further understanding and discovery of 1-(4-Nitrophenyl)ethanone.
Four new piperine derivatives, PC1-PC4, were synthesized, and their structures were fully characterized by infrared (IR) and H-1 and C-13 nuclear magnetic resonance (NMR) spectroscopies. Quantum chemical calculations were performed using density functional theory (DFT) with the B3LYP-D3/6-31G(d,p) and 6-311+G(2d,p) basis sets. Electronic properties, such as the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) and some global chemical reactivity descriptors, were evaluated to study the reactivity and stability of the compounds. H-1 and C-13 NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method and compared with experimental values. In addition, the compounds were evaluated in an antifungal study against Candida, Trichophyton and Microsporum strains, and only PC4 showed 70% inhibition in ten tested strains, with a minimum inhibitory concentration (MIC) ranging from 1.23-2.46 mu mol mL(-1) and a minimum fungicide concentration (MFC) ranging from 9.84-19.68 mu mol mL(-1), and presented a fungistatic effect.
Safety of 1-(4-Nitrophenyl)ethanone. Bye, fridends, I hope you can learn more about C8H7NO3, If you have any questions, you can browse other blog as well. See you lster.
Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem