Insights into the Halogen Effects on Regioselectivities of Nucleophilic Haloalkylation of α,β-Enones.

• Tác giả: Zizhen Rao, Yueqian Sang, Qianzhen Shao, Haoran Xu, Xiao-Song Xue, Meng-Meng Zheng
• Ngôn ngữ: eng
• Thông tin xuất bản: Germany : Chemistry, an Asian journal , 2025
• Bộ sưu tập: NCBI
• ID: 464826

Tóm tắt

The halogen effects, specifically the replacement of chlorine with fluorine, on the shift in regioselectivity from 1,4- to 1,2-addition in the nucleophilic haloalkylation of α,β-enones have been investigated using density functional theory (DFT) calculations. Computational analysis revealed that the difluorocarbanion PhSO