Synthesis, spectral characterization and DFT analysis for the validation of 2, 6 diaryl -piperidin-4-ones as potential sunscreens and UV filters

• Abstract A new series of piperidine derivatives namely 3,5-dimethyl-2,6-diaryl-1-propionyl-piperidin-4-ones were synthesized. The structure of the compound, 3, 5-dimethyl-2,6-phenyl-1-propionyl-piperidin-4-one was determined unambiguously using NMR, IR and single crystal X-ray diffraction techniques. DFT and its time dependent version based calculations have been carried out to analyze its ground state electronic structure and to interpret the experimental spectroscopic data. The current study also explores into the spectroscopic property of these piperidine-4-one compounds and proposes these molecules as potential sunscreens and UV filters.

Ämnesord

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Nyckelord

1-propionyl-piperidin-4-ones

DFT analysis

NMR

Single crystal XRD

UV filters

Crystal structure

Electronic structure

Ground state

Nuclear magnetic resonance

Single crystals

Spectrum analyzers

Sun hoods

X ray diffraction

Ground state electronic structure

Single crystal x-ray diffraction

Spectral characterization

Spectroscopic property

UV filter

Crystal filters

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)