Computed Properties of C21H24N2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. 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 Insights into the Regioselectivity of Hydroheteroarylation of Allylbenzene with Pyridine Catalyzed by Ni/AlMe3 with N-Heterocyclic Carbene: The Concerted Hydrogen Transfer Mechanism. Author is Naweephattana, Phiphob; Sawatlon, Boodsarin; Surawatanawong, Panida.
The hydroheteroarylation of allylbenzene with pyridine as catalyzed by Ni/AlMe3 and a N-heterocyclic carbene ligand has recently been established. D. functional calculations revealed that the common stepwise pathway, which involves the C-H oxidative addition of pyridine-AlMe3 before the migratory insertion of allylbenzene, is unlikely as the migratory insertion needs to overcome a prohibitively high energy barrier. In contrast, the ligand-to-ligand hydrogen transfer pathway is more favorable in which the hydrogen is transferred directly from the para-position of pyridine-AlMe3 to C2 of allylbenzene. Our distortion-interaction anal. and natural bond orbital anal. indicate that the interaction energy is strongly correlated with the extent of the charge transfer from the alkene (hydrogen acceptor) to the pyridine-AlMe3 (hydrogen donor), which dictates the selectivity of the H-transfer to the C2 position of allylbenzene. Then, the subsequent C-C reductive elimination of the regioselective linear product is facilitated by the steric hindrance of the IPr ligand. Understanding these key factors affecting the product regioselectivity is important to the development of catalysts for hydroheteroarylation of alkenes.
There is still a lot of research devoted to this compound(SMILES：CC1=CC(C)=CC(C)=C1[N+]2=[C-]N(C3=C(C)C=C(C)C=C3C)C=C2)Computed Properties of C21H24N2, and with the development of science, more effects of this compound(141556-42-5) can be discovered.
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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