2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid → HCID 90413528, compound

HRID 2175971Notes

Reaction equation

HRID 2175971 reaction equation
CC1N=C([C:7]2C=CC=[CH:12][C:8]=2[C:9](O)=O)ON=1.CC1C=CC([C:21]([OH:23])=[O:22])=C(N2N=CC=N2)N=1.Cl.[F:32][C:33]([F:50])([F:49])[C:34]1[CH:39]=[CH:38][N:37]=[C:36]([O:40][CH2:41][CH:42]2[CH2:47][CH:46]3[NH:48][CH:43]2[CH2:44][CH2:45]3)[N:35]=1>>[F:50][C:33]([F:49])([F:32])[C:34]1[CH:39]=[CH:38][N:37]=[C:36]([O:40][CH2:41][CH:42]2[CH2:47][CH:46]3[N:48]([C:21]([O:23][C:8]([CH3:7])([CH3:9])[CH3:12])=[O:22])[CH:43]2[CH2:44][CH2:45]3)[N:35]=1

Participants

4

Reactant 3

HCID 231463052-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acidHCID 670868556-Methyl-2-[1,2,3]triazol-2-yl-nicotinic acidHCID 90411835HCID 90411835, compound

Product 1

HCID 90413528HCID 90413528, compound

Procedure

Prepared analogous to example 127 substituting 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid with 6-methyl-2-(2H-1,2,3-triazol-2-yl)nicotinic acid with the title compound of step B. MS (ESI) mass calcd. for C21H20F3N7O2, 459.2; m/z found 460.2 [M+H]+. 1H NMR (MeOD): 8.89-8.82 (m, 1H), 8.02-7.82 (m, 3H), 7.48-7.14 (m, 2H), 4.75-4.71 (m, 1H), 4.44-4.07 (m, 2H), 3.91-3.84 (m, 1H), 2.64-2.56 (m, 3H), 2.48-2.30 (m, 1H), 2.02-1.43 (m, 6H).

Sources & evidence

ORD record
ord-5e69c95d34eb4ea0be2b55dbd4e1fcae
Source dataset
uspto-grants-2015_06
Patent number
US09062078B2

Reaction notes

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