Regioselectivity of acid-catalyzed cyclization of 1-(3,4-dialkylaryl)-3-chloropropan-1-ones to indanones. Comparison of experimental data and results of computer simulation |
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| Authors: | P V Ivchenko I E Nifant’ev L Yu Ustynyuk V A Ezerskii |
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| Institution: | 1.Department of Chemistry,M. V. Lomonosov Moscow State University,Moscow,Russian Federation |
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| Abstract: | The acid-catalyzed cyclization of 1-(3,4-dialkylaryl)-3-chloropropan-1-ones to dialkylindanones via the intermediate formation of (3,4-dialkylaryl)propenones was studied. This reaction affords isomeric products: 5,6-dialkylindan-1-ones
and 4,5-dialkylindan-1-ones. The DFT quantum chemical calculation results correlate with the experimental data and suggest
that the structural factors affect the ratio of products. |
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