In 2020 ORGANOMETALLICS published article about AUXILIARY BASIS-SETS; BIMETALLIC OXIDATIVE ADDITION; ATOM-TRANSFER CARBONYLATION; ZETA-VALENCE QUALITY; ARYL HALIDES; ELECTRONIC-STRUCTURE; COMPLEX CATALYST; ALLYL HALIDES; ALKYL IODIDES; LOW-PRESSURE in [Sabater, Sara; Menche, Maximilian; Ghosh, Tamal; Hashmi, A. Stephen K.; Schaub, Thomas] Catalysis Res Lab CaRLa, D-69120 Heidelberg, Germany; [Rueck, Katharina S. L.; Paciello, Rocco; Schaub, Thomas] BASF SE, Organ Synth, D-67056 Ludwigshafen, Germany; [Menche, Maximilian; Schaefer, Ansgar] BASF SE, Quantum Chem, D-67056 Ludwigshafen, Germany; [Krieg, Saskia; Comba, Peter] Heidelberg Univ, Anorgan Chem Inst, D-69120 Heidelberg, Germany; [Hashmi, A. Stephen K.] Heidelberg Univ, Organ Chem Inst, D-69120 Heidelberg, Germany in 2020, Cited 75. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Recommanded Product: 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.
Recommanded Product: 2-Phenylbutanoic acid. Welcome to talk about 90-27-7, 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 send Email.
Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics