Day: April 2, 2022

SDS of cas: 141556-42-5. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene, is researched, Molecular C21H24N2, CAS is 141556-42-5, about DFT study of unstrained ketone C-C bond activation via rhodium(I)-catalyzed Suzuki-Miyaura cross-coupling reactions. Author is Xiao, Dengmengfei; Zhao, Lili; Andrada, Diego M..

Unstrained cyclic ketones can participate in cooperative Suzuki-Miyaura cross-coupling type reaction using rhodium(I)-based catalyst via C-C bond activation. The regioselectivity indicates a trend where the most substituted side is activated and it is controlled by the β-substituents. In this work, D. Functional Theory (DFT) calculations have been carried out to disclose the underlying mechanism in the reaction of a ketone series and arylboronate using ylidene as ancillary ligand and pyridine as co-catalysts. The computed energies suggest the reductive elimination step with the highest energy while the reductive elimination has the highest energy barrier. By the means of the Activation Strain Model (ASM) of chem. reactivity, it is found that the ketone strain energy released on the oxidative addition does not control the relativity of the OA reactivity, but indeed is the interaction energy between Rh(I) and C-C bond the ruling effect. The effect of the β-substituents on regioselectivity has been addnl. studied.

This literature about this compound(141556-42-5)SDS of cas: 141556-42-5has given us a lot of inspiration, and I hope that the research on this compound(1,3-Bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene) can be further advanced. Maybe we can get more compounds in a similar way.

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

Reference of 2-Phenylpyridine. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Phenylpyridine, is researched, Molecular C11H9N, CAS is 1008-89-5, about Electrochemically Driven and Acid-Driven Pyridine-Directed ortho-Phosphorylation of C(sp2)-H Bonds. Author is Gryaznova, Tatyana V.; Khrizanforov, Mikhail N.; Levitskaya, Alina I.; Kh. Rizvanov, Ildar; Balakina, Marina Yu.; Ivshin, Kamil A.; Kataeva, Olga N.; Budnikova, Yulia H..

The key intermediate palladacycles (mono, bi, and tetranuclear) with phosphonate, acetate, and other counterions in the C(sp2)-H phosphonation are analyzed in terms of their redox properties, mutual transitions, reactivity, and reaction pathways for the selective production of desired products. In the presence of pyridine, the reaction proceeds through a mononuclear palladacycle, which at a relatively high electrolysis potential gives the product of ortho-phosphonation of the arene with a C-P bond in good yield. Under acidic conditions, the process involves the tetrapalladium intermediate and leads to a product with a C-O-P bond. Phosphorous acid gives inorganic phosphoric derivatives of 2-phenylpyridine. The electrochem. data on the redox properties of key palladacycles 4 and 5, their potentials and energy gaps, are confirmed by DFT calculations

This literature about this compound(1008-89-5)Reference of 2-Phenylpyridinehas given us a lot of inspiration, and I hope that the research on this compound(2-Phenylpyridine) can be further advanced. Maybe we can get more compounds in a similar way.

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