2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid → HCID 69939397, compound

HRID 244029Notes

Reaction equation

HRID 244029 reaction equation
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([N:11]2[N:15]=[CH:14][CH:13]=[N:12]2)[C:3]=1[C:4]([OH:6])=O.[CH2:16]1[CH:20]2[CH2:21][NH:22][CH2:23][CH:19]2[CH2:18][N:17]1[C:24]1[N:29]=[C:28]([C:30]#[N:31])[CH:27]=[C:26]([CH3:32])[N:25]=1>>[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([N:11]2[N:15]=[CH:14][CH:13]=[N:12]2)[C:3]=1[C:4]([N:22]1[CH2:21][CH:20]2[CH2:16][N:17]([C:24]3[N:29]=[C:28]([C:30]#[N:31])[CH:27]=[C:26]([CH3:32])[N:25]=3)[CH2:18][CH:19]2[CH2:23]1)=[O:6]

Participants

3

Reactant 2

HCID 670866272-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acidHCID 67116370HCID 67116370, compound

Product 1

HCID 69939397HCID 69939397, compound

Procedure

The title compound was prepared in a manner analogous to Example 15, utilizing Intermediate 12 and Intermediate 49. MS (ESI): mass calculated for C21H19F2N8O, 418.44; m/z found 419.2 [M+H]+. 1H NMR (400 MHz, CDCl3): 7.91-7.80 (m, 2H), 7.75 (s, 1H), 7.55-7.42 (m, 1H), 7.15 (ddd, J=8.4, 6.6, 4.0 Hz, 1H), 6.69 (d, J=5.5 Hz, 1H), 4.07-3.46 (m, 7H), 3.35-3.20 (m, 1H), 3.19-2.94 (m, 2H), 2.40 (s, 3H).

Sources & evidence

ORD record
ord-a61553f5c3ce453ab7d990cbdb33cd38
Source dataset
uspto-grants-2014_02
Patent number
US08653263B2

Reaction notes

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