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  Absolute Configuration of In Situ Crystallized (+)-γ-Decalactone

Patzer, M., Nöthling, N., Goddard, R., & Lehmann, C. W. (2021). Absolute Configuration of In Situ Crystallized (+)-γ-Decalactone. Chemistry, 3(2), 578-584. doi:10.3390/chemistry3020040.

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Patzer, Michael1, Autor           
Nöthling, Nils1, Autor           
Goddard, Richard1, Autor           
Lehmann, Christian W.1, Autor           
Affiliations:
1Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              

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Schlagwörter: γ-(+)-decalactone; absolute configuration; in situ cryo-crystallization; flavoring agent; lactone; hydrogen bonding; crystal structure; X-ray crystallography
 Zusammenfassung: Knowledge about the absolute configuration of small bioactive organic molecules is essential in pharmaceutical research because enantiomers can exhibit considerably different effects on living organisms. X-ray crystallography enables chemists to determine the absolute configuration of an enantiopure compound due to anomalous dispersion. Here, we present the determination of the absolute configuration of the flavoring agent (+)-γ-decalactone, which is liquid under ambient conditions. Single crystals were grown from the liquid in a glass capillary by in situ cryo-crystallization. Diffraction data collection was performed using Cu-Kα radiation. The absolute configuration was confirmed. The molecule consists of a linear aliphatic non-polar backbone and a polar lactone head. In the solid state, layers of polar and non-polar sections of the molecule alternating along the c-axis of the unit cell are observed. In favorable cases, this method of absolute configuration determination of pure liquid (bioactive) agents or liquid products from asymmetric catalysis is a convenient alternative to conventional methods of absolute structure determination, such as optical rotatory dispersion, vibrational circular dichroism, ultraviolet-visible spectroscopy, use of chiral shift reagents in proton NMR and Coulomb explosion imaging.

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Sprache(n): eng - English
 Datum: 2021-04-162021-03-302021-04-182021-04-21
 Publikationsstatus: Online veröffentlicht
 Seiten: 7
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.3390/chemistry3020040
 Art des Abschluß: -

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Titel: Chemistry
  Kurztitel : Chemistry
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Basel, Switzerland : MDPI
Seiten: - Band / Heft: 3 (2) Artikelnummer: - Start- / Endseite: 578 - 584 Identifikator: ISSN: 2624-8549
CoNE: https://pure.mpg.de/cone/journals/resource/111076342752076