On the origin of π-facial diastereoselectivity in nucleophilic additions to chiral carbonyl compounds 4. Calculated transition state structures for the addition of nucleophiles to 2-methoxypropanal and 2-N,N-dimethyl-aminopropanal.
✍ Scribed by G. Frenking; K.F. Köhler; M.T. Reetz
- Book ID
- 108372325
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- French
- Weight
- 520 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0040-4020
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Summarv : The transition state structures for addition of LiH to 1, 2, and 3 are computed and analyzed at MP2/6-3lG(d)//HF/6\_3lG(d). Three factors are found to be important for the relative energies of the transition state structures: (i) the conformational energy of the aldehyde; (ii) the interac
## SummarV : The conformational profiles for rotation around the C-C(=O) bond a and the energy minimum conformations are calculated for propionaldehyde 1, chloroacetaldehyde 2, MP2/6-3lG(d)//HF/6\_3lG(d). and 2-chloropropionaldehyde 3 at a function of a for 1, 2, The energy level of the LUMO is ca