An NMR and MD Modeling Insight into Nucleation of 1, 2-Alkanediols: Selective Crystallization of Lipase-Catalytically Resolved Enantiomers from the Reaction …
O Parve, I Reile, J Parve, S Kasvandik…
Index: Parve, Omar; Reile, Indrek; Parve, Jaan; Kasvandik, Sergo; Kudrjasova, Marina; Tamp, Sven; Metsala, Andrus; Villo, Ly; Pehk, Tonis; Jarvet, Jueri; Vares, Lauri Journal of Organic Chemistry, 2013 , vol. 78, # 24 p. 12795 - 12801
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Citation Number: 2
Abstract
The work on developing a scalable lipase-catalytic method for the kinetic resolution of long- chain 1, 2-alkanediols, complemented by crystallization of the pure enantiomers from the reaction mixtures, offered the possibility of a more detailed study of the aggregation of such diols. MD modeling, mass spectrometry, 1H NMR, and DOSY studies provided a novel insight into the nucleation process. An efficient protocol for stereo-and chemoselective ...
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