HCID 58877888, compound → HCID 58877846, compound

HRID 1664192Notes

Reaction equation

HRID 1664192 reaction equation
Br[C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C:9]1[N:13]([CH3:14])[N:12]=[C:11]([CH3:15])[N:10]=1.[Cu][C:17]#[N:18]>>[CH3:14][N:13]1[C:9]([C:3]2[CH:4]=[C:5]([F:8])[CH:6]=[CH:7][C:2]=2[C:17]#[N:18])=[N:10][C:11]([CH3:15])=[N:12]1

Participants

3

Reactant 2

HCID 58877888HCID 58877888, compoundHCID 178418546HCID 178418546, compound

Product 1

HCID 58877846HCID 58877846, compoundYield 87%

Procedure

5-(2-Bromo-5-fluorophenyl)-1,3-dimethyl-1H-1,2,4-triazole (2.72 g, 10.07 mmol) was treated with copper (I) cyanide to give 1.90 g (87% yield) of the title material as a white solid. 1HNMR 400 MHz (CDCl3) δ (ppm): 2.48 (3H, s, CH3), 3.89 (3H, s, NCH3), 7.34-7.42 (2H, m, aromatics), 7.88 (1H, dd, J=5.0 Hz and J=8.6 Hz, aromatic). HRMS (ESI+) calculated for C11H10FN4 [M+H+]: 217.0889; found: 217.0893.

Sources & evidence

ORD record
ord-5a33e4a096564e099acb8e289119429a
Source dataset
uspto-grants-2011_10
Patent number
US08039458B2

Reaction notes

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