3-Bromo-5-nitrobenzoic acid → HCID 59313931, compound

HRID 889425Notes

Reaction equation

HRID 889425 reaction equation
Br[C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([N+:11]([O-:13])=[O:12])[CH:10]=1)[C:5]([OH:7])=[O:6].COC1C=C([N:25]2[CH:29]=[N:28][CH:27]=[N:26]2)C=C([N+]([O-])=O)C=1>CO>[N+:11]([C:9]1[CH:8]=[C:4]([CH:3]=[C:2]([N:25]2[CH:29]=[N:28][CH:27]=[N:26]2)[CH:10]=1)[C:5]([OH:7])=[O:6])([O-:13])=[O:12]

Participants

4

Reactant 2

HCID 2393363-Bromo-5-nitrobenzoic acidHCID 12104633HCID 12104633, compound

Product 1

HCID 59313931HCID 59313931, compound

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent

Procedure

3-Nitro-5-(1H-1,2,4-triazol-1-yl)benzoic acid was prepared from 3-bromo-5-nitrobenzoic acid following the procedure in Intermediate 2A. HPLC: Rt=1.12 min. (PHENOMENEX® Luna 5 micron C18 4.6×30 mm, 10-90% aqueous methanol containing 0.1% TFA, 2 min. gradient, flow rate=5 mL/min., detection at 254 nm). MS (ES): m/z=235.07 [M+H]+.

Sources & evidence

ORD record
ord-5a8b851b93fe4a93a708f19be2772e7d
Source dataset
uspto-grants-2012_08
Patent number
US08252795B2

Reaction notes

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