Abstract
An expedient and efficient method for selective methylation of catechol coumarins by working with different alkalis under appropriate reaction conditions is reported. Esculetins were selectively methylated at position 6 and position 7 in good yield using CH3I in the presence of NaH and Na2CO3, respectively. However, daphnetins showed less regioselectivity under the same reaction conditions. Furthermore, the site preference for the methylation reaction was interpreted by the density functional theory at B3LYP/6-31+G(d) level.
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