《Size is Important: Artificial Catalyst Mimics Behavior of Natural Enzymes》 was published in iScience in 2020. These research results belong to Chen, Jianzhong; Gridnev, Ilya D.. Computed Properties of C38H28O4P2 The article mentions the following:
Heavily substituted (R)-DTBM-SegPHOS is active in the asym. Pd(II)-catalyzed hydrogenation or C-O bond cleavage of α-pivaloyloxy-1-(2-furyl)ethanone, whereas (R)-SegPHOS fails to catalyze either of these transformations. An extensive network of C-H···H-C interactions provided by the heavily substituted Ph rings of (R)-DTBM-SegPHOS leads to increased stabilities of all intermediates and transition states in the corresponding catalytic cycles compared with the unsubstituted analogs. Moreover, formation of the encounter complex and its rearrangement into the reactive species proceeds in a fashion similar to that seen in natural enzymic reactions. Computations demonstrate that this feature is the origin of enantioselection in asym. hydrogenation, since the stable precursor is formed only when the catalyst is approached by one prochiral plane of the substrate. The experimental part of the paper was very detailed, including the reaction process of (S)-5,5′-Bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole(cas: 210169-54-3Computed Properties of C38H28O4P2)
(S)-5,5′-Bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole(cas: 210169-54-3) is a chelating ligand used to prepare coordination complex catalysts, such as its use in Pd catalysts for the enantioselective synthesis of spiro- or benzofused hetereocycles with exocyclic olefins via enantioselective intramolecular dearomative Heck reaction of indoles, benzofurans, pyrroles and furans.Computed Properties of C38H28O4P2
Referemce:
Phosphine ligand,
Chiral phosphines in nucleophilic organocatalysis