Machine Learning in Chemistry about 2-Phenylbutanoic acid

About 2-Phenylbutanoic acid, If you have any questions, you can contact Sabater, S; Menche, M; Ghosh, T; Krieg, S; Ruck, KSL; Paciello, R; Schafer, A; Comba, P; Hashmi, ASK; Schaub, T or concate me.. Name: 2-Phenylbutanoic acid

I found the field of Chemistry very interesting. Saw the article Mechanistic Investigation of the Nickel-Catalyzed Carbonylation of Alcohols published in 2020. Name: 2-Phenylbutanoic acid, Reprint Addresses Schaub, T (corresponding author), Catalysis Res Lab CaRLa, D-69120 Heidelberg, Germany.; Schaub, T (corresponding author), BASF SE, Organ Synth, D-67056 Ludwigshafen, Germany.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

The carbonylation of alcohols represents a straightforward and atom-efficient methodology for the preparation of carboxylic acids. It is desirable to perform these reactions under precious metal-free and low-pressure conditions, with regioselectivity control. In this work, we present a detailed mechanistic study of a catalytic system based on NiI2, which can carbonylate benzylic alcohols in a highly regioselective manner to the corresponding branched carboxylic acids, core motifs for nonsteroidal drugs. The combination of catalytic amounts of nickel and iodide is crucial for efficient catalytic and regioselective conversion. Quantum-chemical computations were used to evaluate the underlying mechanistic processes. They revealed that a combination of two mechanisms is responsible for the observed reactivity and that the oxidative addition of alkyl halides to the Ni(0) species follows a radical oxidation pathway via two one-electron steps.

About 2-Phenylbutanoic acid, If you have any questions, you can contact Sabater, S; Menche, M; Ghosh, T; Krieg, S; Ruck, KSL; Paciello, R; Schafer, A; Comba, P; Hashmi, ASK; Schaub, T or concate me.. Name: 2-Phenylbutanoic acid

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics