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Probing Molecular Shape. 1. Conformational Studies of 5-Hydroxyhexahydropyrimidine and Related Compounds

Locke, Julie M. and Crumbie, Robyn L. and Griffith, Renate and Bailey, Trevor D. and Boyd, Susan and Roberts, John D. (2007) Probing Molecular Shape. 1. Conformational Studies of 5-Hydroxyhexahydropyrimidine and Related Compounds. Journal of Organic Chemistry, 72 (11). pp. 4156-4162. ISSN 0022-3263. http://resolver.caltech.edu/CaltechAUTHORS:20160624-110838876

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Abstract

Understanding the factors that determine molecular shape enables scientists to begin to understand and tailor molecular properties and reactivity. Many biomolecules and bioactive compounds contain aliphatic heterocyclic rings whose conformations play a major role in their biological activity. The interplay of a number of factors, both steric and electronic, is examined for 5-hydroxyhexahydropyrimidine (1) and related compounds with use of spectroscopy and molecular modeling.


Item Type:Article
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http://dx.doi.org/10.1021/jo0704863DOIArticle
http://pubs.acs.org/doi/abs/10.1021/jo0704863PublisherArticle
http://pubs.acs.org/doi/suppl/10.1021/jo0704863Related ItemSupporting Information
Additional Information:© 2007 American Chemical Society. Received March 7, 2007. The authors thank Dr. Narsimha Reddy (NMR spectroscopy, University of Western Sydney) and Prof. David Griffith (IR spectroscopy, University of Wollongong) for helpful discussions and technical assistance, and the University of Wollongong for donating computer time. We also thank the Australian Government for the receipt of an Australian Postgraduate Award (J.M.L.) and the University of Western Sydney for partially funding this project.
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Record Number:CaltechAUTHORS:20160624-110838876
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20160624-110838876
Official Citation:Probing Molecular Shape. 1. Conformational Studies of 5-Hydroxyhexahydropyrimidine and Related Compounds Julie M. Locke, Robyn L. Crumbie, Renate Griffith, Trevor D. Bailey, Susan Boyd, and John D. Roberts The Journal of Organic Chemistry 2007 72 (11), 4156-4162 DOI: 10.1021/jo0704863
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:68658
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:24 Jun 2016 19:55
Last Modified:24 Jun 2016 19:55

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