AI Article Synopsis
- The study presents the synthesis of a chiral isothiourea compound that shows promise for use as an organocatalyst and anti-inflammatory agent.
- The synthesis occurred in two efficient steps, resulting in a hydrobromide salt that yielded suitable crystals for X-ray diffraction analysis.
- Notable findings from the analysis include the specific orientation of the phenyl ring and the presence of a halogen bond, both of which may influence the compound's effectiveness in asymmetric reactions.
Article Abstract
The synthesis of a chiral isothiourea, namely, (4aR,8aR)-3-phenyl-4a,5,6,7,8,8a-hexahydrobenzo[4,5]imidazo[2,1-b]thiazol-9-ium bromide, CHNS·Br, with potential organocatalytic and anti-inflammatory activity is reported. The preparation of the heterocycle of interest was carried out in two high-yielding steps. The hydrobromide salt of the isothiourea of interest provided suitable crystals for X-ray diffraction analysis, the results of which are reported. Salient observations from this analysis are the near perpendicular arrangement of the phenyl ring and the mean plane of the heterocycle. This conformational characteristic may be relevant with regard the stereoselectivity induced by the chiral isothiourea in asymmetric reactions. Furthermore, evidence was found for the existence of an S...Br halogen bond.
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| http://dx.doi.org/10.1107/S2053229623010781 | DOI Listing |
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