Abstract:The goal of this investigation is the stability and reactivity of benzopyranones derivatives using quantum chemistry calculations at the B3LYP level of theory, together with the 6-31G * basis set. Quantum chemistry was employed to obtain energy (E), HOMO and LUMO, ionization potential (IP), and spin-density distribution for benzopyranones derivatives. The gas phase structures are discussed based on thermodynamic values. Calculations of spin densities were performed for radical formed by electron abstraction. T… Show more
Allylic oxidation of 2-allylbenzoic acids to phthalides, instead of Wacker-type isocoumarins, was achieved with 1,2-bis(phenylsulfinyl)ethane palladium(ii) acetate (White catalyst) and oxygen in DMSO.
Allylic oxidation of 2-allylbenzoic acids to phthalides, instead of Wacker-type isocoumarins, was achieved with 1,2-bis(phenylsulfinyl)ethane palladium(ii) acetate (White catalyst) and oxygen in DMSO.
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