Computed Properties of C27H38AuClN2On September 16, 2020 ,《AuI-Catalyzed Hydroalkynylation of Haloalkynes》 was published in Journal of the American Chemical Society. The article was written by Garcia-Fernandez, Pedro D.; Iglesias-Siguenza, Javier; Rivero-Jerez, Paula S.; Diez, Elena; Gomez-Bengoa, Enrique; Fernandez, Rosario; Lassaletta, Jose M.. The article contains the following contents:
The AuI-catalyzed reaction between terminal alkynes and aromatic haloalkynes proceeds through divergent pathways depending on the nature of the catalyst counteranion. Thus, cationic complexes containing strongly basic NHC ligands and noncoordinating anions such as BArF4 catalyze the cis haloalkynylation of the terminal alkyne, whereas introduction of a weakly basic triflate counteranion results in the stereoselective hydroalkynylation of the haloalkyne, yielding haloenyne products in good yields and complete trans selectivity. Exptl. and computational studies suggest that the hydroalkynylation reaction takes place via nucleophilic attack of the terminal alkyne to the C2 carbon of the activated haloalkyne, assisted by a concerted proton abstraction by the triflate, and that the protodeauration is the turnover-limiting step, in agreement with an observed primary kinetic isotope effect. In the part of experimental materials, we found many familiar compounds, such as Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2Computed Properties of C27H38AuClN2)
Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydroimidazol-2-ylidene}gold(I)(cas: 852445-84-2) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. Computed Properties of C27H38AuClN2 In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem