NMR data for compound 20. N-(3,5-bis(trifluoromethyl)phenyl)-5-bromofuran-2-carboxamide

DOI: 10.14469/hpc/14726 Metadata

Created: 2024-11-01 15:32

Last modified: 2024-11-05 18:32

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Synthesised according to the general procedure using toluene as the reaction solvent, reaction for 24 hours. Purified by flash column chromatography (EtOAc 5% à 25% in cyclohexane) Yield = 1.62 g cream solid, 81%. 1H NMR (700 MHz, CDCl3) δ (ppm) = 8.25 (s, 1H), 8.18 (s, 2H), 7.65 (s, 1H), 7.25 (d, J = 3.6 Hz, 1H), 6.55 (d, J = 3.6 Hz, 1H). 13C NMR (176 MHz, CDCl3) δ (ppm) = 155.1, 148.4, 138.7, 132.7 (q, JC-F = 33.6 Hz), 126.0, 123.1 (q, JC-F = 272.9 Hz), 119.8 (q, JC-F = 3.7 Hz), 119.0, 118.1 (sept, JC-F = 3.7 Hz), 115.2. 19F NMR (659 MHz, CDCl3) δ (ppm) = −63.04 (s, 1F) HRMS [C13H6F6NO2Br + H]+ : Expect 401.9559, observed 401.9570 νmax (solid/cm-1): 3297, 3095, 1657, 1628, 1586, 1547, 1467, 1439 Melting point: 121 – 122 °C

Member of collection / collaboration

DOIDescription
10.14469/hpc/14635 Borate-Catalysed Direct Amidation Reactions of Coordinating Substrates. NMR data

Members

DOIDescription
10.14469/hpc/14784 NMR data for compound 20. N-(3,5-bis(trifluoromethyl)phenyl)-5-bromofuran-2-carboxamide. 1H
10.14469/hpc/14785 NMR data for compound 20. N-(3,5-bis(trifluoromethyl)phenyl)-5-bromofuran-2-carboxamide. 13C

Subject Keywords

KeywordValue
Inchi InChI=1S/C13H6BrF6NO2/c14-10-2-1-9(23-10)11(22)21-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5H,(H,21,22)
Inchikey LZAPBHAAGIGMGH-UHFFFAOYSA-N

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