In 2018,ACS Catalysis included an article by Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun. HPLC of Formula: 78782-17-9. The article was titled ãRational Design of a Catalyst for the Selective Monoborylation of Methaneã? The information in the text is summarized as follows:
Combined computational and exptl. studies elucidate the mechanism and suggest rational design and optimization strategies of a bis(phosphine) supported Ir catalyst for methane monoborylation. The activation of the C-H bond in methane via oxidative addition using an Ir(III)-polypyridyl complex carrying three pinacolboryl ligands is modeled computationally. This model shows that the use of the soft Lewis base ligand such as bis(dimethylphosphino)ethane (dmpe) lowers the activation barrier of the rate determining step as it facilitates polarization of the metal center, lowering the barrier of the oxidative addition to afford a seven-coordinate Ir(V) intermediate. The exptl. optimization of this reaction using high throughput methods show that up to 170 turnovers can be achieved at 150° (500 psi) within 16 h using bis(pinacolato)diboron, a well-defined homogeneous and monomeric catalyst (dmpe)Ir(COD)(Cl) that is readily available from com. precursors, with selectivity for the monoborylation product. High-boiling cyclic aliphatic solvents decalin and cyclooctane also prove suitable for this reaction, while being inert towards borylation. In accordance with the lower calculated activation barrier, catalytic turnover is also observed at 120° with up to 50 turnovers over 4 days in cyclohexane solvent. The borylation of methane is only formed via one catalytic cycle, and buildup of pinacolborane, a side product from methane borylation with bis(pinacolato)diboron, inhibits catalytic activity.Bis[(pinacolato)boryl]methane(cas: 78782-17-9HPLC of Formula: 78782-17-9) was used in this study.
Bis[(pinacolato)boryl]methane(cas: 78782-17-9) belongs to organoboron compounds. Organoboron compounds have been a cornerstone of synthetic transformations for decades. Areas such as boron-containing catalysts, metalate chemistry, photoredox methods, and boryl anions have brought significant new developments in understanding and provided new reactivity upon.HPLC of Formula: 78782-17-9
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