On January 31, 2007, Gourlay, Matthew D.; Kendrick, John; Leusen, Frank J. J. published an article.Synthetic Route of 97859-49-9 The title of the article was Rationalization of racemate resolution: predicting spontaneous resolution through crystal structure prediction. And the article contained the following:
Crystal structure prediction simulations are reported on 5-hydroxymethyl-2-oxazolidinone and 4-hydroxymethyl-2-oxazolidinone to establish the feasibility of predicting the spontaneous resolution of racemates of small organic mols. It is assumed that spontaneous resolution occurs when the enantiomorph is more stable than the racemic solid. The starting point is a gas phase conformational search to locate all low-energy conformations. These conformations were used to predict the possible crystal structures of 5- and 4-hydroxymethyl-2-oxazolidinone. In both cases, the racemic crystal structure is predicted to have the lowest energy. The energy differences between the lowest-energy racemic solids and the lowest-energy enantiomorphs are 0.2 kcal mol-1 for 5-hydroxymethyl-2-oxazolidinone and 0.9 kcal mol-1 for 4-hydroxymethyl-2-oxazolidinone. In the case of 4-hydroxymethyl-2-oxazolidinone, where the racemic crystal is known to be more stable and the exptl. crystal structures of both the racemate and the enantiomorph are available, the simulation results match the observed data. For 5-hydroxymethyl-2-oxazolidinone, where only enantiopure crystals are observed exptl., the known exptl. structure is found 1.6 kcal mol-1 above the lowest-energy predicted structure. It is possible to predict whether the racemate of a small chiral mol. can be resolved spontaneously, although further advances in the accuracy of lattice energy calculations are required. The experimental process involved the reaction of (R)-5-(Hydroxymethyl)oxazolidin-2-one(cas: 97859-49-9).Synthetic Route of 97859-49-9
The Article related to spontaneous organic racemate resolution crystal structure prediction, Organic Analytical Chemistry: Separations and other aspects.Synthetic Route of 97859-49-9
Referemce:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem