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Rosy Christy, S.
- NMR Spectral Studies of some Six - Membered and Seven - Membered Saturated Hetero Cyclic Compounds and Preparation of T[3] - Ethyl - R[2], C[7] - Diphenyl Homopiperazin - 5 - One
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1 Chemistry, Bharath University, Selaiyur, Chennai – 600 073, IN
1 Chemistry, Bharath University, Selaiyur, Chennai – 600 073, IN
Source
Indian Journal of Science and Technology, Vol 7, No S3 (2014), Pagination: 30-35Abstract
t[3]-Ethyl -r[2],c[7]- diphenyl homopiperazin-5-one was prepared using Schmidt reaction Thereafter, by taking an optimum solution of the compound in a suitable solvent, NMR measurements were taken. Some six and seven membered saturated hetero cyclic compounds were prepared. 1H NMR spectra were recorded in DMSO-d6. The chemical shifts were compared with those in CDCl3. The COSY, NOESY and 13C - 1H correlation spectra had been recorded to assign the signals unambiguously. Coupling constants were calculated using DAERM method and also using the equations of Altona and Karplus for different torsional angles from 0 to 1800. The coupling constants, calculated by Altona's equation were less than those obtained by Karplus equation for some compounds for a particular range of torsional angles, and greater for other range of torsional angles; hence both Karplus's and Altona's equations can be applied to these compounds satisfactorily.Keywords
Ammonium Acetate, Benzaldehyde, Ammonia, Stirring, Drop-wise, Extract, Anhydrous, Crush, Melting Point, Petroleum Ether- NMR Spectral Studies of some Six-membered and Seven-membered Saturated Hetero Cyclic Compounds: Calculation of Torsional Angles from Vicinal Coupling Constants - Using Altona's Equation and its Comparison with DAERM Method
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Authors
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1 Department of Chemistry, Bharath University, Selaiyur, Chennai - 600 073, IN
1 Department of Chemistry, Bharath University, Selaiyur, Chennai - 600 073, IN
Source
Indian Journal of Science and Technology, Vol 7, No S3 (2014), Pagination: 36-42Abstract
Some six and seven membered saturated hetero cyclic compounds were prepared; from their vicinal coupling constants, proton - proton Torsional angles were calculated using Altona's Equation. 1H NMR spectra were recorded in DMSO - d6. The chemical shifts were compared with those in CDCl3. The COSY, NOESY and 13C-1H correlation spectra had been recorded to assign the signals unambiguously. Thereafter, torsional angles were calculated using electronegativity values of the substituents; the electronegativity value of oxygen was taken to be 3.50. Calculations were made accurately.Keywords
Altona’s Equation, COSY, NOESY, Orientatin, Conformation- NMR Spectral Studies of some Six-membered and Seven-membered Saturated Hetero Cyclic Compounds and Preparation of some Seven-membered Saturated Hetero Cyclic Compounds and NMR Measurements
Abstract Views :200 |
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Authors
Affiliations
1 Chemistry, Bharath University, Selaiyur, Chennai – 600 073, Tamil Nadu, IN
1 Chemistry, Bharath University, Selaiyur, Chennai – 600 073, Tamil Nadu, IN