Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 3939-12-6, is researched, Molecular C6H3FN2, about Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles, the main research direction is alkyl aryl pyrazole regioselective preparation; regioselective alkylation arylation pyrazole potassium carbonate DMSO; aryl fluoride alkyl bromide iodide regioselective alkylation arylation pyrazole; atomic charge calculated pyrazolate anion generated alkylation arylation; bong length angle crystal structure alkyl aryl pyrazole.SDS of cas: 3939-12-6.
A systematic study of the N-substitution reactions of 3-substituted pyrazoles under basic conditions was undertaken. N1-Alkyl-, aryl-, and heteroarylpyrazoles were prepared regioselectively in 28-96% yields and in 3:1->99:1 regioselectivities by alkylation or arylation of 3-nitro-, 3-trifluoromethyl, 3-Me, 3-bromo-, 3-phenylpyrazoles and Et 3-pyrazolecarboxylate with alkyl bromides and iodides and electron-deficient aryl fluorides using K2CO3 as base in DMSO. DFT calculations of the at. charges at the pyrazole nitrogens in the pyrazolate anions were consistent with the observed regioselectivities; steric effects were observed in alkylations of pyrazoles. The structures of twenty-five of the pyrazole products were determined by X-ray crystallog.
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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem