Synthesis, spectral, stereochemical, single crystal XRD and biological studies of 3t-pentyl-2r,6c-diarylpiperidin-4-one picrate derivatives

Savithiri, S.; Doss, Mohan; Rajarajan, G.; Thanikachalam, Venugopal

doi:10.1016/j.molstruc.2014.06.096

Cited by 21 publications

(6 citation statements)

References 20 publications

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“…Generally aromatic C−H stretching modes occurred at 3000–3100 cm −1 [45] . In our results the C−H aromatic stretching mode was observed at 3066 cm −1 in FT‐IR and 3064 cm −1 at FT‐Raman spectra and its corresponding computed value at 3065 cm −1 .…”

Section: Nmr Spectral Assignment Of Compound 4 Asupporting

confidence: 68%

“…The C−C stretching vibrations were observed in the FT‐IR spectrum at 1411 cm −1 and 1409 cm −1 in the Raman spectrum, whereas the corresponding DFT calculated values are found to be 1410 cm −1 respectively. The CCC in plane bending bands is expected in the literature to be between 1000 and 600 cm −1 [45] . In this work, the CCC in plane bending bands were observed at 970 cm −1 in the IR spectrum, 972 cm −1 in Raman and calculated values appear at 975 cm −1 using the DFT method.…”

Section: Nmr Spectral Assignment Of Compound 4 Asupporting

confidence: 50%

“…The CCC in plane bending bands is expected in the literature to be between 1000 and 600 cm À 1 . [45] In this work, the CCC in plane bending bands were observed at 970 cm À 1 in the IR spectrum, 972 cm À 1 in Raman and calculated values appear at 975 cm À 1 using the DFT method.…”

Section: Benzene Ring Vibrationsmentioning

confidence: 65%

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Synthesis, Spectroscopic, Computational, Biological and Molecular docking studies on 3‐allyl 2,6‐diaryl piperidin‐4‐ones

Manjula

Venkateswaramoorthi²,

Dharmaraja³

et al. 2022

ChemistrySelect

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A series of 3‐allyl‐2,6‐diarylpiperidin‐4‐one derivatives were designed and synthesized as antimicrobial agents with good yields. The target compounds were characterized by Mass, NMR, FT‐IR and FT‐Raman spectral techniques. The optimization had been performed on the title compound using the B3LYP method with 6‐311++G(d,p) basis set. The optimized bond parameter of the title molecule was calculated by DFT method. To study the intramolecular charge transfer within the molecule, the Lewis (bonding) and Non‐Lewis (anti‐bonding) structural calculation was performed. The Non‐linear optical behaviour of the title compound was measured using first order hyperpolarizability calculation. Mulliken atomic charges and thermodynamic properties were also calculated and analyzed. In vitro antibacterial and antifungal screening for all the synthesized 3‐allyl 2,6‐diaryl piperidin‐4‐ones was evaluated for two Gram‐positive bacteria (Staphylococcus aurous, Enterococcus faecalis), three Gram‐negative bacteria Pseudomonas aeruginosa, Escherichia coliand K. pneumonia) and five fungi (Candida albicans, Aspergillus niger, Aspergillus flavus, Rhizopus sp and Mucor sp). All the compounds showed good antibacterial and antifungal activities. Molecular docking study is to demonstrate that piperidine derivatives bind to Ribonucleotide reductases (RNRs) enzymes and to evaluate whether these molecules can be used as potential drugs.

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Section: Nmr Spectral Assignment Of Compound 4 Asupporting

confidence: 68%

Section: Nmr Spectral Assignment Of Compound 4 Asupporting

confidence: 50%

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Synthesis, Spectroscopic, Computational, Biological and Molecular docking studies on 3‐allyl 2,6‐diaryl piperidin‐4‐ones

Manjula

Venkateswaramoorthi²,

Dharmaraja³

et al. 2022

ChemistrySelect

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“…The asymmetric unit of the title compound Fig.6. The multiplet appeared in the region 7.02-7.60 ppm are due to the aromatic protons [15]. The fundamental absorption is due to the promotion of an electron from the "bonding" π orbital to an "anti-bonding" π orbital designated as π* (π-π*) [16].…”

Section: Resultsmentioning

confidence: 99%

Synthesis, structural, optical and thermal studies on 3,5-diethyl-2, 6-di (4-methoxyphenyl)-4-oxopiperidinium chloride

Yuvaraj

Jauhar²,

NizamMohideen³

et al. 2016

Journal of Molecular Structure

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“…The piperidine skeletons have drawn much interests because of their effective bioactivity, and in particular, 3,5‐disubstituted‐2,6‐diaryl‐piperidin‐4‐ones have been well documented as potent antimicrobial agents . In addition, oxime and its derivatives have been served as important synthetic intermediates as well as employed as starting materials for the preparation of many types of biologically active heterocyclic compounds .…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Secondary and Tertiary Oxime Carbamate Derivatives and their Structure‐Dependent Bioactivity

Sivakumar

Thanikachalam

Kim

et al. 2017

Bulletin Korean Chem Soc

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Biologically active novel piperidin‐4‐one oxime carbamates were synthesized from 3‐ethyl‐1‐methyl‐2,6‐diphenylpiperidin‐4‐one oxime, 1,1′‐carbonyldiimidazole (CDI), and primary or secondary amines in the presence of sodium hydride as base. Commercially available, cheaper, and safer CDI was utilized as carbonyl source, instead of toxic phosgene/triphosgene and carbon monoxide. The devised method is feasible for primary and secondary amines to make their corresponding oxime carbamate derivatives, through oxime–imidazolide intermediate, in high yield. When the antimicrobial activity of obtained oxime carbamate derivatives was investigated in comparison with streptomycin and amphotericin B as standards, the oxime carbamate containing heteroaromatic thiazole ring exhibits outstanding antimicrobial effectiveness, regardless of bacterial or fungal types.

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Synthesis, spectral, stereochemical, single crystal XRD and biological studies of 3t-pentyl-2r,6c-diarylpiperidin-4-one picrate derivatives

Cited by 21 publications

References 20 publications

Synthesis, Spectroscopic, Computational, Biological and Molecular docking studies on 3‐allyl 2,6‐diaryl piperidin‐4‐ones

Synthesis, Spectroscopic, Computational, Biological and Molecular docking studies on 3‐allyl 2,6‐diaryl piperidin‐4‐ones

Synthesis, structural, optical and thermal studies on 3,5-diethyl-2, 6-di (4-methoxyphenyl)-4-oxopiperidinium chloride

Synthesis of Secondary and Tertiary Oxime Carbamate Derivatives and their Structure‐Dependent Bioactivity

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