The author of 《Computationally Assisted Mechanistic Investigation into Hypervalent Iodine Catalysis: Cyclization of N-Allylbenzamide》 were Butt, Smaher E.; Das, Mirdyul; Sotiropoulos, Jean-Marc; Moran, Wesley J.. And the article was published in Journal of Organic Chemistry in 2019. Application of 529-28-2 The author mentioned the following in the article:
Previous exptl. work identified 2-iodoanisole as the best precatalyst for the oxidative cyclization of N-alkenylamides into 2-oxazolines. Herein, we describe our investigation into the effect on reaction rate based on the structure of the iodoarene precatalyst. We also reveal the mechanism of the cyclization based on DFT modeling and obtain a clear correlation between observed reaction rates and computationally derived activation energies for different iodoarenes. In addition, the rate-limiting step is shown to be the cyclization of the substrate which is zero order in the concentration of the iodoarene precatalyst. The rate of the cyclization is found to correlate with the ease of oxidation of the iodoarene, however the most easily oxidized iodoarenes generate iodine(III) species that decompose readily. Finally, loss of iodoarene from the cyclized intermediate can proceed by either ligand-coupling or SN2 displacement (reductive elimination), and this is shown to be substrate dependent. After reading the article, we found that the author used 1-Iodo-2-methoxybenzene(cas: 529-28-2Application of 529-28-2)
1-Iodo-2-methoxybenzene(cas: 529-28-2) participates in palladium catalyzed enantioselective Heck arylation of 2,3-dihydrofuran in the presence of chiral ionic liquids containing L-prolinate and L-lactate anions and non-chiral quaternary ammonium cations.Application of 529-28-2
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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem