6-(Trifluoromethyl)nicotinic acid → HCID 45381524, compound

HRID 2088319Notes

Reaction equation

HRID 2088319 reaction equation
COC1C=CC=CC=1C([NH:7][C@H:8]1[CH:13]2[CH2:14][CH2:15][N:10]([CH2:11][CH2:12]2)[CH2:9]1)=O.[F:20][C:21]([F:32])([F:31])[C:22]1[CH:30]=[CH:29][C:25]([C:26]([OH:28])=O)=[CH:24][N:23]=1>>[N:10]12[CH2:15][CH2:14][CH:13]([CH2:12][CH2:11]1)[C@H:8]([NH:7][C:26]([C:25]1[CH:24]=[N:23][C:22]([C:21]([F:20])([F:32])[F:31])=[CH:30][CH:29]=1)=[O:28])[CH2:9]2

Participants

3

Reactant 2

HCID 27775516-(Trifluoromethyl)nicotinic acidHCID 44286533HCID 44286533, compound

Product 1

HCID 45381524HCID 45381524, compound

Procedure

Title compound was synthesized according to the procedure used in the synthesis of Compound 19S, using 6-(trifluoromethyl)nicotinic acid in place of o-methoxybenzoic acid. 1H NMR (400 MHz, CDCl3) S (ppm): 8.84 (s, 1H), 8.34 (dd, J=8 Hz, 1H), 8.23 (s, 1H), 8.12 (dd, J=8 Hz, 1H), 4.18 (m, 1H), 3.39 (ddd, J=10, 14 Hz, 1H), 2.96-2.87 (m, 4H), 2.68 (ddd, J=16 Hz, 1H), 2.06 (m, 1H), 1.82 (m, 1H), 1.74 (m, 1H), 1.55 (m, 1H). C14H16F3N3O=299.12 LCMS (M+H): m/z 300

Sources & evidence

ORD record
ord-1099b276ac4847e98ae1b4519bd6f6ff
Source dataset
uspto-grants-2013_05
Patent number
US08435762B2

Reaction notes

Loading…