Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Catalysis Science & Technology called Mechanistic insight into construction of axially chiral biaryls via palladium/chiral norbornene cooperative catalysis: a DFT-based computational study, Author is Ma, Xuexiang; Feng, Aili; Liu, Chengbu; Zhang, Dongju, which mentions a compound: 3375-31-3, SMILESS is CC([O-])=O.CC([O-])=O.[Pd+2], Molecular C4H6O4Pd, COA of Formula: C4H6O4Pd.
D. functional theory calculations were performed on a prototype of three-component reactions involving aryl iodides, 2,6-substituted aryl bromides, and acrylates to understand the construction of axially chiral biaryls through the palladium/chiral norbornene cooperative catalysis (Nat. Catal.2020, 3, 727-733). The reaction is established to occur in sequence through oxidative addition of aryl iodide to Pd(0), norbornene insertion, C-H activation, oxidative addition of aryl bromide to Pd(II), C-C reductive elimination, norbornene extrusion, alkene insertion, and β-H elimination. The C-H activation is characterized as the rate-determining step, and the oxidative addition of aryl bromide on Pd(II) control the enantioselectivity of the reaction. The construction of more favorable (S)-C-C axial chirality is attributed to the smaller steric repulsion between the ortho-Me group of aryl bromide and the norbornene moiety. The theor. results rationalize the reaction sequence of aryl iodide and aryl bromide on both Pd(0) and Pd(II) and clarify the substantial role of the ortho-ester group in the aryl bromide.
From this literature《Mechanistic insight into construction of axially chiral biaryls via palladium/chiral norbornene cooperative catalysis: a DFT-based computational study》,we know some information about this compound(3375-31-3)COA of Formula: C4H6O4Pd, but this is not all information, there are many literatures related to this compound(3375-31-3).