1H and 13C NMR Spectroscopic Studies of the Complexation of Phenylenedioxydiacetamides with Calcium and Potassium Cations in Solution

1984 ◽  
Vol 39 (10) ◽  
pp. 1375-1379 ◽  
Author(s):  
Whei Oh Lin ◽  
Maria C. B. V. de Souza ◽  
Helmut G. Alt
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Methylene Chloride ◽  
Spectroscopic Studies ◽  
Acetonitrile Solution ◽  
Chelating Ligands ◽  
1H And 13C Nmr ◽  
Coordination Modes ◽  
H Nmr ◽  
C Nmr

Phenylenedioxydiacetamides are examples of noncyclic ionophors that are able to form 2:1 complexes with the cations Ca2+ and K+ in acetone, methylene chloride or acetonitrile solution. The chelation abilities and coordination modes of 12 derivatives were investigated systematically by IR, 1H NMR and 13C NMR spectroscopy. The results indicate that only the 1,2-phenylenedioxydiacetam ides function as ligands; while the 1,3-derivatives do not coordinate. The ionophors 1-8 act as tetradentate chelating ligands with all four oxygen atoms involved in bonding to the cation. Irrespective of its charge, each cation is coordinated by two ionophors.

1H and 13C NMR study of (X-phenyl)-5-nitro-2-furylvinyl ethers

1980 ◽  
Vol 45 (12) ◽  
pp. 3557-3563 ◽  
Author(s):  
Miloslava Dandárová ◽  
Jaroslav Kováč ◽  
Daniel Végh
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Furan Ring ◽  
Chemical Shifts ◽  
1H And 13C Nmr ◽  
H Nmr ◽  
Nmr Study ◽  
Hammett Σ Constants ◽  
C Nmr

Reaction of 5-nitro-2-furylvinyltrimethylammonium bromide with substituted phenolates gave (E)- and (Z)-(X-phenyl)-5-nitro-2-furylvinyl ethers. The preffered s-cis and s-trans orientations of the furan ring in Z and E isomers, respectively, were determined by 1H NMR spectroscopy. To study the extent of p-π conjugation, 13C NMR spectra of compounds under investigation have also been measured and interpreted. Chemical shifts for ethylenic carbons and protons were correlated with Hammett σ constants.

Preparation, 1H and 13C NMR, and ab initio/IGLO study of mono-O-protonated deltic acid and theoretical investigation of di-, tri-, and tetra-O-protonated deltic acids

1999 ◽  
Vol 77 (5-6) ◽  
pp. 525-529 ◽  
Author(s):  
GK Surya Prakash ◽  
Golam Rasul ◽  
George A Olah ◽  
Ronghua Liu ◽  
Thomas T Tidwell
Keyword(s):  
Nmr Spectroscopy ◽  
Ab Initio ◽  
Theoretical Investigation ◽  
13C Nmr ◽  
Chemical Shifts ◽  
1H And 13C Nmr ◽  
Nmr Chemical Shifts ◽  
Molar Solution ◽  
Protonated Species ◽  
C Nmr

The hitherto elusive mono-O-protonated deltic acid C3O3H3+ was prepared by protolysis of di-tert-butoxy deltate in FSO3H-SO2ClF and in FSO3H:SbF5 (Magic Acid; 1:1 molar solution) in SO2ClF as solvent at -78°C and was characterized by 1H and 13C NMR spectroscopy. The structure and NMR chemical shifts were also calculated by the ab initio/IGLO method. No NMR evidence was found for persistent di-O-protonated deltic acid under these conditions, although a limited equilibrium with the mono-O-protonated species can be involved. Di-, tri-, and tetra-O-protonated deltic acids were also studied by ab initio/IGLO method.Key words: protonated deltic acid, aromaticity, superacids, NMR spectroscopy, ab initio and IGLO calculations.

scholarly journals 1H- und 13C-NMR-spektroskopische Untersuchung an 1.4-Heteroarsenaniumsalzen / 1H and 13C NMR Spectroscopy of 1,4-Hetero-arsenanium Salts

1977 ◽  
Vol 32 (8) ◽  
pp. 908-911 ◽  
Author(s):  
Samir Samaan
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
1H And 13C Nmr ◽  
C Nmr

The synthesis of the 1,4-azarsenanium salts 3 and 6 is discribed. Conformation and configuration of the 1,4-oxa- and -azarsenanium salts have been studied via 1H and 13C NMR spectroscopy.

Nucleoside analogs involving modifications in the carbohydrate ring: nuclear magnetic resonance spectroscopic studies

1985 ◽  
Vol 63 (8) ◽  
pp. 2162-2168 ◽  
Author(s):  
Walter A. Szarek ◽  
B. Mario Pinto ◽  
Masaharu Iwakawa
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
Nucleoside Analogs ◽  
Spectroscopic Properties ◽  
Spectroscopic Studies ◽  
Nucleoside Analog ◽  
H Nmr ◽  
Acyclic Nucleoside ◽  
C Nmr

The concomitant use of 1H nmr and 13C nmr spectroscopy as a probe of structure, stereochemistry, and conformation of several nucleoside analogs derived from 1-oxa-4-thiacyclohexane is described. The 1H nmr spectroscopic properties of an acyclic nucleoside analog derived from uridine are also described.

Substituent Influences on the Keto-Enol Tautomerism in 1-(2-Hydroxyphenyl)-3-α-and -β-naphthylpropane-1,3-diones Monitored by 1H and 13C NMR Spectroscopy

2000 ◽  
Vol 55 (2) ◽  
pp. 193-202 ◽  
Author(s):  
Jorge L. Jios ◽  
Helmut Duddeck
Keyword(s):  
Nmr Spectroscopy ◽  
Long Range ◽  
13C Nmr ◽  
Nmr Spectra ◽  
13C Nmr Spectroscopy ◽  
1H And 13C Nmr ◽  
Tautomeric Equilibria ◽  
Hmbc Correlation ◽  
C Nmr

Synthesis of 18 1-(2-hydroxyphenyl)-3-α- and -β-naphthylpropan-1,3-diones is described. Their 1H and 13C NMR spectra were completely and unambiguously assigned using a combination of both homo- and heteronuclear (gs-COSY ), 1H -detected heteronuclear one-bond (gs-HMQC ) and long-range (gs-HMBC) correlation experiments. Substituent and conformation effects on the tautomeric equilibria were identified and interpreted in terms of steric and electronic contributions.

Chemistry of chromotropic acid. 1H and 13C NMR spectroscopy of chromotropic acid and its derivatives

1991 ◽  
Vol 69 (8) ◽  
pp. 1207-1211 ◽  
Author(s):  
Paris E. Georghiou ◽  
Chi Keung (Jimmy) Ho ◽  
Chester R. Jablonski
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Deuterium Oxide ◽  
13C Nmr Spectroscopy ◽  
Chromotropic Acid ◽  
Hydroxyl Groups ◽  
Two Dimensional ◽  
1H And 13C Nmr ◽  
C Nmr

The 1H and 13C NMR spectra of chromotropic acid (CTA) (4,5-dihydroxy-2,7-naphthalenedisulphonic acid) have been unambiguously assigned. Proton NOED spectra were used to show the proximity of both H-3 and H-6 and the hydroxyl groups. Two-dimensional 1H–13C NMR correlation spectra of CTA, of its corresponding diacetoxy derivative, and of 3-bromo- and 3,6-dibromo-CTA support the assignments. A regioselective deuterium exchange reaction of the C-3 and C-6 protons of CTA with deuterium oxide was observed during the NMR experiments. This latter finding is strongly indicative of the mode of formation, and of the nature of the chromogen formed in the reaction of CTA with formaldehyde in the well-known CTA-formaldehyde analytical reaction. Key words: chromotropic acid, 3-bromochromotropic acid, 3,6-dibromochromotropic acid.

scholarly journals Determination of C-23 Configuration in (20R)-23-Hydroxycholestane Side Chain of Steroid Compounds by 1H and 13C NMR Spectroscopy

2013 ◽  
Vol 8 (9) ◽  
pp. 1934578X1300800 ◽  
Author(s):  
Alla A. Kicha ◽  
Anatoly I. Kalinovsky ◽  
Alexander S. Antonov ◽  
Oleg S. Radchenko ◽  
Natalia V. Ivanchina ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Side Chain ◽  
Side Chains ◽  
Model Compounds ◽  
1H And 13C Nmr ◽  
C 23 ◽  
C Nmr

Epimeric (20 R,23 R)- and (20 R,23 S)-23-hydroxycholestane steroids were synthesized. Their structures were elucidated by extensive 1H and 13C NMR spectroscopy and application of the Mosher's method. All proton and carbon signals of the side chains were assigned. Based on these assignments spectral data allow the determination of the C-23 stereochemistry of (20 R)-23-hydroxycholestane side chains of the new natural steroids by comparison with spectra of the obtained model compounds. As a result, the C-23 configuration of two steroid compounds from the starfishes Lethasterias nanimensis chelifera and Lethasterias fusca was established.

scholarly journals 1H and 13C NMR Spectroscopic Evidence for the Complexation of Potassium Cations by Cyclohexanedioxydiacetamides

1985 ◽  
Vol 40 (3) ◽  
pp. 441-442 ◽  
Author(s):  
Whei Oh Lin ◽  
Helmut G. Alt
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
1H And 13C Nmr ◽  
Spectroscopic Evidence ◽  
C Nmr

The complexation of cyclohexanedioxydiacetamides by K+ cations may be studied by 1H and 13C NMR spectroscopy.

8-Acyl-7-phenylbicyclo[2.2.2]-2,6-diones by rearrangement of 3-acyloxy-5-(2-phenylethenyl)-2-cyclohexen-1-ones. 1H and 13C NMR spectral evidence of their structure

1990 ◽  
Vol 55 (5) ◽  
pp. 1208-1215 ◽  
Author(s):  
Pavel Hrnčiar ◽  
Tibor Liptay ◽  
Ján Šraga
Keyword(s):  
Double Bond ◽  
Spectral Data ◽  
13C Nmr ◽  
1H And 13C Nmr ◽  
Spectral Evidence ◽  
C Nmr

3-Acyloxy-5-(2-phenylethenyl)-2-cyclohexen-1-ones II were prepared by O-acylation of 5-(2-phenylethenyl)-1,3-cycloxanedione (I). Treatment of II with AlCl3 resulted in rearrangement of the acyl group to the double bond of the phenylethenyl grouping followed by cyclization to 8-acyl-7-phenylbicyclo[2.2.2]octane-2,6-diones III. Their structure was evidenced by analysis of the 1H and 13C NMR spectral data.

scholarly journals (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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