NMR data for compound 31. tert-butyl 4-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate

DOI: 10.14469/hpc/14741 Metadata

Created: 2024-11-02 07:01

Last modified: 2024-11-05 18:44

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Synthesised according to the general procedure, reaction for 41 hours. Purified by flash column chromatography (EtOAc in cyclohexane, 15 à 85%). Yield = 1.20 g, white solid, 79%. 1H NMR (700 MHz, CDCl3) δ (ppm) = 8.72 (s, 1H), 8.24 (dd, J = 4.9, 1.0 Hz, 1H), 8.20 (d, J = 8.3 Hz, 1H), 7.69 (ddd, J = 8.3, 7.3, 1.9 Hz, 1H), 7.03 (ddd, J = 7.3, 4.9, 0.8 Hz, 1H), 4.14 (br s, 2H), 2.72 (br s, 2H), 2.38 (m, 1H), 1.84 (br d, J = 11.4 Hz, 2H), 1.72 (qd, J = 12.3, 4.1 Hz, 2H), 1.44 (s, 9H). 13C NMR (176 MHz, CDCl3) δ (ppm) = 173.4, 154.8, 151.7, 147.7, 138.7, 120.0, 114.6, 79.8, 44.3, 43.6, 42.9, 28.6. HRMS [C17H23N3O3+H]+ : Calculated 306.1812 Observed 306.1809 νmax (solid/cm-1): 3312, 2978, 2947, 2925, 2847, 1672, 1578, 1528, 1458, 1420. Melting point: 156 – 157 °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/14807 NMR data for compound 31. tert-butyl 4-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate. 1H
10.14469/hpc/14808 NMR data for compound 31. tert-butyl 4-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate. 13C

Subject Keywords

KeywordValue
Inchi InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-7-12(8-11-19)14(20)18-13-6-4-5-9-17-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,18,20)
Inchikey ULPXMRKLDHYRGV-UHFFFAOYSA-N

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