3-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid → HCID 67116413, compound

HRID 244013Notes

Reaction equation

HRID 244013 reaction equation
[CH3:1][C:2]1[C:7]([CH3:8])=[C:6]([CH3:9])[N:5]=[C:4]([N:10]2[CH2:17][CH:16]3[CH:12]([CH2:13][NH:14][CH2:15]3)[CH2:11]2)[N:3]=1.[F:18][C:19]1[C:20]([N:28]2[N:32]=[CH:31][CH:30]=[N:29]2)=[C:21]([CH:25]=[CH:26][CH:27]=1)[C:22](O)=[O:23]>>[F:18][C:19]1[C:20]([N:28]2[N:32]=[CH:31][CH:30]=[N:29]2)=[C:21]([C:22]([N:14]2[CH2:13][CH:12]3[CH:16]([CH2:17][N:10]([C:4]4[N:5]=[C:6]([CH3:9])[C:7]([CH3:8])=[C:2]([CH3:1])[N:3]=4)[CH2:11]3)[CH2:15]2)=[O:23])[CH:25]=[CH:26][CH:27]=1

Participants

3

Reactant 2

HCID 670865493-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acidHCID 699393982-(4,5,6-Trimethylpyrimidin-2-yl)octahydropyrrolo[3,4-c]pyrrole

Product 1

HCID 67116413HCID 67116413, compound

Procedure

The title compound was prepared in a manner analogous to Example 15, utilizing Intermediate 42 and 3-fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid. MS (ESI): mass calculated for C22H24FN7O, 421.20; m/z found 422.2 [M+H]+. 1H NMR (500 MHz, CDCl3): 7.82-7.77 (m, 2H), 7.51-7.44 (m, 1H), 7.31 (ddd, J=9.8, 8.4, 1.3, 1H), 7.25-7.20 (m, 1H), 3.86-3.60 (m, 3H), 3.59-3.42 (m, 4H), 3.14 (dd, J=10.9, 5.3, 1H), 2.94 (dd, J=10.9, 7.1, 2H), 2.38-2.27 (m, 6H), 2.07 (d, J=7.2, 3H).

Sources & evidence

ORD record
ord-5c1e5791094447a886367928f7678c87
Source dataset
uspto-grants-2014_02
Patent number
US08653263B2

Reaction notes

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