Application In Synthesis of 2-Phenylbutanoic acid. I found the field of Chemistry very interesting. Saw the article Mechanistic Insights into Copper-Catalyzed Carboxylations published in 2020, Reprint Addresses Hopmann, KH (corresponding author), UiT Arctic Univ Norway, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-9037 Tromso, Norway.; Bayer, A (corresponding author), UiT Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid.
The copper-NHC-catalyzed carboxylation of organo-boranes with CO2 was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted via an inner-sphere carboxylation of an organocopper intermediate, whereas benzylic substrates may simultaneously proceed along both inner- and outer-sphere CO2 insertion pathways. Interestingly, the computations predict that two conceptually different carboxylation mechanisms are possible for benzylic organoboranes, one being copper-catalyzed and one being mediated by the reaction additive CsF. Our experimental evaluation of the computed reactions confirms that carboxylation of nonbenzylic substrates requires copper catalysis, whereas benzylic substrates can be carboxylated with and without copper.
Application In Synthesis of 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, If you have any questions, you can contact Obst, MF; Gevorgyan, A; Bayer, A; Hopmann, KH or send Email.
Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics