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Electrochemical Regioselective Chalcogenocyclizations of 2 Alkynylbenzamides in Flow

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Figshare2026-03-10 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Electrochemical_Regioselective_Chalcogenocyclizations_of_2_Alkynylbenzamides_in_Flow/31571719
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We discovered an easy and clean way to make selenium‑containing ring structures. Instead of using strong chemicals, we used electricity in a flow reactor. The electricity activates the selenium compound, which then reacts with our starting material to form a ring in a very controlled way. The method works for many different starting materials and can be scaled up. It is safe, clean, and gives only one major product.This dataset supports a study that demonstrates an exclusive 6‑endo‑dig selenocyclization of o-alkynylbenzamides using electrochemical activation of diphenyl diselenide. All data were generated using a continuous‑flow electrochemical setup, with full documentation of flow‑cell specifications, standard operating procedures, cyclic voltammetry conditions, and analytical methods including NMR and HRMS.The data files (1H, 13C, 19F, 77Se NMR spectra) are arranged according to the compound numbers used in the Manuscript and the Supporting Information.Each compound folder contains several files (maximum 4 files). The numbers in each file name indicate the type of NMR spectrum:If the file name includes 10, 11, then 10 = ¹H and 11 = ¹³C.If it includes 10, 11, 12, then 10 = ¹H, 11 = ¹³C, and 12 = ¹⁹F or ⁷⁷Se.If it includes 10, 11, 12, 13, then 10 = ¹H, 11 = ¹³C, 12 = ¹⁹F, and 13 = ⁷⁷Se.All experiments follow standard chemical‑laboratory safety procedures, including proper handling and disposal of selenium‑containing waste. Citations should include the associated manuscript and the CCDC deposition numbers for crystallographic data: 2380684 (3b), 2380685 (4b), and 2463949 (3y).
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2026-03-10
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