N.M.R. experiments on ketals. VII. Restricted rotation of substituents (other than methyl.) In cyclohexanoid systems.

Anteunis, M.; Coene, E.; Tavernier, D.

doi:10.1016/s0040-4039(00)70081-5

Cited by 10 publications

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References 4 publications

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“…These eight possibilities arrise from all possible ccxrtiraticns of 11-e shift values corresponding to ao, u,, p, and p,. This secund difficulty is esrecially important when using the shift data of H-4 and H-6, because these fydrcgers ale veiy zersitive to substitution in the vicinal C-5 position [8]. Once the correct combinations found, the calculation of K, is easy.…”

Section: K = (Dl-dt)/(dll+dv) ( a )mentioning

confidence: 99%

N.M.R. Experiments on Acetals: XX [I]. Conformational Equilibrium in 5,5‐Disubstituted 1,3‐Dioxanes

Coene

Anteunis

1970

Bulletin des Soc Chimique

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A number of 5, 5‐disubstituted 1,3‐dioxanes (mostly methyl, alkyl) were prepared and their PMR spectra studied at various temperatures. Conformational equilibria and thermodynamic parameters were obtained (table I), using correct [7] shift data. The results obtained with data for H‐2 hydrogens are more accurate then those for H‐4,6 hydrogens. Some ambiguity however exists concerning equilibria for 5‐Me‐5‐n alkyl‐m dioxanes and different sets of values remain possible (table III). In general however it seems that the method of calculation as previously introduced [7] gives more then satisfactory results. Accuracy seems to be very high and without correction of the shift parameters for their temperature dependance, the linearity of the total free energy differences with temperature is often very bad. Even after correction it remains bad however for 5‐Me‐5‐r Bu‐1, 3‐dioxane. Some spectral features of the latter compound are discussed and it is shown that H‐4a (H‐6a) resonates at lower field then H‐4e (H‐6e).

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Section: K = (Dl-dt)/(dll+dv) ( a )mentioning

confidence: 99%

N.M.R. Experiments on Acetals: XX [I]. Conformational Equilibrium in 5,5‐Disubstituted 1,3‐Dioxanes

Coene

Anteunis

1970

Bulletin des Soc Chimique

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Nuclear Magnetic Resonance Experiments on Multisulfur Heterocycles: 5‐Methyl‐1,2,3‐Trithiane

Anteunis

Goor

1974

Bulletin des Soc Chimique

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Abstract.The aliphatic region in 5-Me-1,2,3-trithiane takes, at least, an ideal chair and the AGO-value, found by low temperature ' H n.m.r., is 1.0 Kcal/mole During our conformational studies of 5-Me-5-R-1,2,3-trithianes1, 5-methyl-lI2,3-trithiane was needed for comparative purposes. Obtained from 2-methyl-1,3-propane dio12 via the Bunte salt, it was identified by U.V.spectroscopy (cyclohexane, Am = 264 nm), mass spectrometry (molecular ion at 1 5 2 and significant responses at M-S, M-HS2 and M-HS3) and by elemental analysis A

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NMR studies of anacomeric 2‐phenyl‐5,5‐disubstituted‐1,3‐dioxanes

Porter

Larocca

1971

Journal of Heterocyclic Chem

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N.M.R. experiments on ketals. VII. Restricted rotation of substituents (other than methyl.) In cyclohexanoid systems.

Cited by 10 publications

References 4 publications

N.M.R. Experiments on Acetals: XX [I]. Conformational Equilibrium in 5,5‐Disubstituted 1,3‐Dioxanes

N.M.R. Experiments on Acetals: XX [I]. Conformational Equilibrium in 5,5‐Disubstituted 1,3‐Dioxanes

Nuclear Magnetic Resonance Experiments on Multisulfur Heterocycles: 5‐Methyl‐1,2,3‐Trithiane

NMR studies of anacomeric 2‐phenyl‐5,5‐disubstituted‐1,3‐dioxanes

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