Research Article
A Conformational Model for MTPA Esters of Chiral N-(2-Hydroxyalkyl)acrylamides
Table 1
Conformers of both diastereomers of 3b.
| Compound | Diastereomer | Tor1 (°) | Tor2 (°) | (Kcal/mol) | %P |
| (R)-3b | (2R,2′R) | 178 | 1 | 1.54 | 4.2 | −66 | 2 | 0.54 | 22.6 | −70 | 5 | 0.00 | 56.5 | 66 | 2 | 0.72 | 16.7 |
| (S)-3b | (2R,2′S) | 73 | −5 | 0.59 | 17.4 | −49 | −4 | 1.70 | 2.6 | 69 | 1 | 0.34 | 26.6 | −76 | 4 | 1.88 | 2.0 | −177 | 7 | 0.00 | 47.3 | 168 | 4 | 1.60 | 3.1 | 165 | 0 | 2.44 | 0.8 | 162 | −2 | 3.02 | 0.3 | −54 | 1 | 1.64 | 2.9 | 156 | −108 | 2.99 | 0.3 | −62 | −140 | 1.72 | 2.6 |
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