https://www.selleckchem.com/pr....oducts/4-phenylbutyr
Based on the density function theory (DFT), the global nucleophilicity index (Nu) followed the trend of HS-MMTD MMTD dimer sulfonated MMTD, while the ring-opening barrier followed the trend of HS-MMTD (274 kJ/mol) less then first ring of MMTD dimers (286 kJ/mol) less then MMTD (338 kJ/mol). Theoretical calculations further confirmed that the cross-coupled HS-MMTD intermediate was more likely to be decyclized than intermediates from direct oxidation. Moreover, nitrogen, acetaldehyde group, sulfate and CO2 we
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