Rotational barriers about the CÈN bonds of several N-acyl-N-methyl-a-amino acids and their esters R3COÈ N(R4)ÈCR1R2ÈCOOR5, and also N-Boc-protected dipeptides, were determined and the steric e †ects caused by the substituents R1-R5 are discussed by comparing them with the results of MM3 calculations
Carbon-13 N.M.R. chemical shifts and rotational barriers of ortho -substituted N,N-dimethylbenzamides
✍ Scribed by Fong, CW; Lincoln, SF; Williams, EH
- Book ID
- 126057405
- Publisher
- Commonwealth Scientific and Industrial Research Organisation Publishing
- Year
- 1978
- Tongue
- English
- Weight
- 287 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0004-9425
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## Abstract All carbon‐13 chemical shifts for 11 __para__‐substituted __N__,__N__‐dimethylbenzamides in 1 mole % chloroform solution are reported, with assignments based upon double resonance experiments, analogy to chemical shifts of benzamide, and self‐consistency between experimental and calcula
## Abstract The ^13^C solvent induced chemical shifts (SICS) of the carbonyl carbon and the thermodynamic barriers to rotation about the CN bond of __N__,__N__‐dimethylbenzamide are linearly related to the solvent parameter, __E__~T~(30). A multi‐parametric solvent parameter approach indicates tha
## Abstract The ^13^C n.m.r. chemical shifts of the __sp__‐hybridized carbons in dialkylcarbodiimides have values of δc ≃ 140. These shifts are compared with those of similarly hybridized carbons occuring in other classes of compounds.
## Abstract Rotational barriers in 21 __p__‐ and __m__‐substituted __N__,__N__‐dimethylbenzamides in CDCl~3~ as solvent have been determined using the intensity ratio method of Woodbrey. These data compare very well with values from the literature^1^ obtained with a total line shape analysis. From