NMR data for compound 13. N-benzylpicolinamide

DOI: 10.14469/hpc/14719 Metadata

Created: 2024-11-01 15:23

Last modified: 2024-11-05 18:11

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Synthesised according to the general procedure using 5 mol % borate catalyst. Purified by flash column chromatography (EtOAc : Cyclohexane 20% à 40%). Yield = 1.022g white solid 4.82 mmol, 96%. Analytical data is in accordance with literature reports.10 1H NMR (700 MHz, CDCl3) δ (ppm) = 8.52 (d, J = 4.7 Hz, 1H), 8.40 (s, 1H), 8.24 (d, J = 7.8 Hz, 1H), 7.85 (td, J = 7.7, 1.7 Hz, 1H), 7.42 (ddd, J = 7.6, 4.7, 1.1 Hz, 1H), 7.35 (m, 4H), 7.28 (tt, J = 7.2, 1.4 Hz, 1H), 4.67 (d, J = 6.2 Hz, 2H). 13C NMR (176 MHz, CDCl3) δ (ppm) = 164.3, 149.9, 148.2, 138.4, 137.6, 128.8, 128.0, 127.6, 126.4, 122.5, 43.6. HRMS [C13H12N2O+H]+ ; expected : 213.1022, observed : 213.1021 Melting point : 75 – 76 °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/14767 NMR data for compound 13. N-benzylpicolinamide. 1H
10.14469/hpc/14768 NMR data for compound 13. N-benzylpicolinamide. 13C

Subject Keywords

KeywordValue
Inchi InChI=1S/C13H12N2O/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
Inchikey NNIFYECULHSHBH-UHFFFAOYSA-N

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