NMR data for compound 12. N-(3-bromophenyl)-1H-pyrazole-3-carboxamide

DOI: 10.14469/hpc/14718 Metadata

Created: 2024-11-01 15:22

Last modified: 2024-11-05 18:07

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 with 24 hours reaction time. Purified by recrystallisation on cooling of the reaction mixture, followed by washing with toluene (2 x 10 ml) and trituration with Et2O (2 x 10 ml). Further pure material is isolated from the mother liquor by recrystallisation from hot toluene. Yield = 857 mg white solid, 3.22 mmol, 64%. 1H NMR (700 MHz, DMSO-d6) (major component) δ(ppm) = 13.45 (s, 1H), 10.24 (s, 1H), 8.15 (s, 1H), 7.90 (s, 1H), 7.81 (d, J = 7.5 Hz, 1H), 7.25 (m, 2H), 6.77 (s, 1H). 13C NMR (176 MHz, DMSO-d6) δ(ppm) = 160.8, 146.4, 140.6, 130.6 (2C, overlapping peaks), 125.9, 122.4, 121.4, 119.0, 105.9 HRMS [C10H9ON3Br + H]+ : Expect 265.9924, Observed 265.9927 νmax (solid/cm-1): 3368, 3283, 1676, 1585, 1532, 1478, 1450, 1433 Melting Point : 146 – 149 °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/14765 NMR data for compound 12. N-(3-bromophenyl)-1H-pyrazole-3-carboxamide. 1H
10.14469/hpc/14766 NMR data for compound 12. N-(3-bromophenyl)-1H-pyrazole-3-carboxamide. 13C

Subject Keywords

KeywordValue
Inchi InChI=1S/C10H8BrN3O/c11-7-2-1-3-8(6-7)13-10(15)9-4-5-12-14-9/h1-6H,(H,12,14)(H,13,15)
Inchikey QHEZFVSKYPVNPI-UHFFFAOYSA-N

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