New N-aryloxy-phthalimide derivatives. Synthesis, physico-chemical properties, and QSPR studies

AbstractStarting from N-hydroxyphthalimide 1 and the reactive fluoro- or chloro-nitroaryl derivatives 2, 3 and 4a-e (2-chloro-3,5-dinitropyridine; 3, NBD-chloride; 4a, 1-fluoro-2,4-dinitrobenzene; 4b, picryl chloride; 4c, 4-chloro-3,5-dinitrobenzotrifluoride; 4d, 2-chloro-3,5- dinitrobenzotrifluoride; 4e, 4-chloro-3,5-dinitrobenzoic acid) the corresponding N-(2-nitroaryloxy)-phthalimide derivatives 5a-e, or 6 and 7 were obtained and characterized by IR, UV-Vis 1H-NMR and 13C-NMR spectroscopy. The TLC behavior and the hydrophobicity of these derivatives have been experimentally evaluated by RM0 parameters (using RP-TLC). The experimental RM0 parameters were compared with the calculated partition coefficient, log P. A QSPR study was also performed to establish possible correlations between the structure and physical properties (λmax and RM0) of compounds 5a-e, 6, and 7.

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Synthesis of new Polyimides Derived from 4- minoantipyrine

Baghdad Science Journal ◽

10.21123/bsj.13.4.782-792 ◽

2016 ◽

Vol 13 (4) ◽

pp. 782-792

Author(s):

Baghdad Science Journal

Keyword(s):

Melting Point ◽

Nmr Spectroscopy ◽

Physical Properties ◽

13C Nmr ◽

Acid Chloride ◽

Softening Point ◽

13C Nmr Spectroscopy ◽

Acryloyl Chloride ◽

One Step ◽

Ft Ir

In the present study, new five polymers of acryloyl chloride have been synthesized by reaction 4-aminoantipyrine with many substituted acid chloride (A-E). Then condensation of polyacryloyl chloride with the product in one step (A-E), in a suitable solvent in the presence amount of (Et3N) to obtain new polyimides(A1-E5). The prepared compounds were characterized by UV. FT-IR, 1H-NMR and 13C-NMR spectroscopy and measuring of other physical properties such as softening point, melting point and solublities.

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NMR spectroscopy in drug discovery and development: Evaluation of physico-chemical properties

ADMET & DMPK ◽

10.5599/admet.737 ◽

2019 ◽

Vol 7 (4) ◽

pp. 242-251

Author(s):

Mire Zloh

Keyword(s):

Drug Discovery ◽

Nmr Spectroscopy ◽

Chemical Properties ◽

Log P ◽

Physico Chemical ◽

Modern Drug ◽

Quantitative Nuclear Magnetic Resonance ◽

Development Evaluation ◽

Selection Of

Determination of physico-chemical properties of compounds is one of the corner-stones in selection of hit molecules for further progression into lead development in the modern drug discovery process. The speed of traditional analyses and limited quantities of hit molecules are obstacles for efficient acquisition of experimental data. Herein, the range of applications of quantitative nuclear magnetic resonance (NMR) spectroscopy as a fast technique used to evaluate solubility, log P and pKa are discussed.

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Combined application of 13C NMR spectroscopy and confocal laser scanning microscopy—Investigation on biofilm structure and physico-chemical properties

Chemical Engineering Science ◽

10.1016/j.ces.2010.05.013 ◽

2010 ◽

Vol 65 (16) ◽

pp. 4691-4700 ◽

Cited By ~ 12

Author(s):

K. Garny ◽

T.R. Neu ◽

H. Horn ◽

F. Volke ◽

B. Manz

Keyword(s):

Nmr Spectroscopy ◽

Laser Scanning ◽

Chemical Properties ◽

13C Nmr Spectroscopy ◽

Laser Scanning Microscopy ◽

Confocal Laser ◽

Combined Application ◽

Physico Chemical ◽

Microscopy Investigation ◽

Biofilm Structure

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(2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol

Molbank ◽

10.3390/m1140 ◽

2020 ◽

Vol 2020 (2) ◽

pp. M1140

Author(s):

Jack Bennett ◽

Paul Murphy

Keyword(s):

Mass Spectrometry ◽

Nmr Spectroscopy ◽

Ir Spectroscopy ◽

13C Nmr ◽

Conjugate Addition ◽

13C Nmr Spectroscopy ◽

One Pot ◽

1H And 13C Nmr ◽

Esi Mass Spectrometry ◽

The One

(2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol was isolated in 18% after treating the glucose derived (5R,6S,7R)-5,6,7-tris[(triethylsilyl)oxy]nona-1,8-dien-4-one with (1S)-(+)-10-camphorsulfonic acid (CSA). The one-pot formation of the title compound involved triethylsilyl (TES) removal, alkene isomerization, intramolecular conjugate addition and ketal formation. The compound was characterized by 1H and 13C NMR spectroscopy, ESI mass spectrometry and IR spectroscopy. NMR spectroscopy was used to establish the product structure, including the conformation of its tetrahydropyran ring.

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