The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: [Ir(dtbbpy)(ppy)2]PF6(SMILESS: [F-][P+5]([F-])([F-])([F-])([F-])[F-].CC(C)(C1=CC=[N]([Ir+3]23([C-]4=CC=CC=C4C5=CC=CC=[N]25)([C-]6=CC=CC=C6C7=CC=CC=[N]37)[N]8=CC=C(C(C)(C)C)C=C98)C9=C1)C,cas:676525-77-2) is researched.Application In Synthesis of Bis(norbornadiene)rhodium (I) tetrafluoroborate. The article 《Pivotal Electron Delivery Effect of the Cobalt Catalyst in Photocarboxylation of Alkynes: A DFT Calculation》 in relation to this compound, is published in Journal of Organic Chemistry. Let’s take a look at the latest research on this compound (cas:676525-77-2).
Photocarboxylation of alkyne with carbon dioxide represents a highly attractive strategy to prepare functionalized alkenes with high efficiency and at. economy. However, the reaction mechanism, especially the sequence of elementary steps (leading to different reaction pathways), reaction modes of the H-transfer step and carboxylation step, spin and charge states of the cobalt catalyst, etc., is still an open question. Herein, d. functional theory calculations are carried out to probe the mechanism of the Ir/Co-catalyzed photocarboxylation of alkynes. The overall catalytic cycle mainly consists of four steps: reductive quenching of the Ir catalyst, hydrogen transfer (rate-determining step), outer sphere carboxylation, and the final catalyst regeneration step. Importantly, the cobalt catalyst can facilitate the H-transfer by an uncommon hydride coupled electron transfer (HCET) process. The pivotal electron delivery effect of the Co center enables a facile H-transfer to the α-C(alkyne) of the aryl group, resulting in the high regioselectivity for β-carboxylation.
There is still a lot of research devoted to this compound(SMILES：[F-][P+5]([F-])([F-])([F-])([F-])[F-].CC(C)(C1=CC=[N]([Ir+3]23([C-]4=CC=CC=C4C5=CC=CC=[N]25)([C-]6=CC=CC=C6C7=CC=CC=[N]37)[N]8=CC=C(C(C)(C)C)C=C98)C9=C1)C)HPLC of Formula: 676525-77-2, and with the development of science, more effects of this compound(676525-77-2) can be discovered.
Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”