Abstract
The role of indium trichloride in the Prins reaction, which leads to the formation of a tetrahydropyran ring from an olefin and an aldehyde, is analysed through DFT calculations with the B3LYP functional on a model system defined by 3-buten-1-ol, formaldehyde and indium trichloride. Two different mechanisms are characterized through calculation of all the relevant intermediates and transition states, and one of them is found to be able to explain experimental data, with the higher energy barrier around 25 kcal mol –1. The reasons why specifically indium trichloride, in contrast to more conventional acids, is particularly efficient in this process, are also analysed. To cite this article: G. Drudis-Solé et al., C. R. Chimie 7 (2004) .
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
