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Theoretical study of Ni(0)-catalyzed intermolecular hydroamination of branched 1,3-dienes: reaction mechanism, regioselectivity, enantioselectivity, and prediction of the ligand.
J Mol Model
December 2024
College of Chemistry and Material Science, Shandong Agricultural University, Taian, Shandong, 271018, People's Republic of China.
Context: Nickel-catalyzed hydroamination of dienes with phenylmethanamines was studied theoretically to investigate reaction mechanism. These calculated results revealed that Ni-catalyzed hydroamination began with the O - H bond activation of trifluoroethanol, including three important elementary steps: the ligand-to-ligand hydrogen migration, the nucleophilic attack of phenylmethanamine, and hydrogen migration. The nucleophilic attack of phenylmethanamine was the rate-determining step, and the branched product of 3,4-addition with (S)-chirality was the most dominant.
View Article and Find Full Text PDFCorrection: Enantioselective total synthesis of atisane diterpenoids: (+)-sapinsigin H, (+)-agallochaol C, and (+)-16α, 17-dihydroxy-atisan-3-one.
Chem Commun (Camb)
August 2024
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, 208016, India.
Correction for 'Enantioselective total synthesis of atisane diterpenoids: (+)-sapinsigin H, (+)-agallochaol C, and (+)-16α, 17-dihydroxy-atisan-3-one' by Dattatraya H. Dethe , 2024, , 7866-7869, https://doi.org/10.
View Article and Find Full Text PDFEnantioselective Surface-Enhanced Raman Scattering by Chiral Au Nanocrystals with Finely Modulated Chiral Fields and Internal Standards.
Adv Mater
August 2024
State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin, 130022, China.
The chiral discrimination of enantiomers is crucial for drug screening and agricultural production. Surface-enhanced Raman scattering (SERS) is proposed for discriminating enantiomers benefiting from chiral plasmonic materials. However, the mechanism of enantioselective SERS is unclear, and fluctuating SERS intensities may result in errors.
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