In 2021.0 ANGEW CHEM INT EDIT published article about BOND-DISSOCIATION ENERGIES; RADICAL ARYLATION; QUANTUM-CHEMISTRY; BASIS-SETS; COMPLEXES; MECHANISM; CYCLIZATION; KINETICS; ACCURATE; DESIGN in [Funk, Pierre; Richrath, Ruben B.; Gansauer, Andreas] Univ Bonn, Kekule Inst Organ Chem & Biochem, Gerhard Domagk Str 1, D-53121 Bonn, Germany; [Bohle, Fabian; Grimme, Stefan] Univ Bonn, Mulliken Ctr Theoret Chem, Inst Phys & Theoret Chem, Beringstr 4, D-53115 Bonn, Germany in 2021.0, Cited 59.0. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5. COA of Formula: C8H8O2
Described here is a titanocene-catalyzed reaction for the synthesis of acetals and hemiaminals from benzylic ethers and benzylic amines, respectively, with pendant epoxides. The reaction proceeds by catalysis in single-electron steps. The oxidative addition comprises an epoxide opening. An H-atom transfer, to generate a benzylic radical, serves as a radical translocation step, and an organometallic oxygen rebound as a reductive elimination. The reaction mechanism was studied by high-level dispersion corrected hybrid functional DFT with implicit solvation. The low-energy conformational space was searched by the efficient CREST program. The stereoselectivity was deduced from the lowest lying benzylic radical structures and their conformations are controlled by hyperconjugative interactions and steric interactions between the titanocene catalyst and the aryl groups of the substrate. An interesting mechanistic aspect is that the oxidation of the benzylic center occurs under reducing conditions.
Welcome to talk about 123-11-5, If you have any questions, you can contact Funk, P; Richrath, RB; Bohle, F; Grimme, S; Gansauer, A or send Email.. COA of Formula: C8H8O2
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles