Lithium Bromide → HCID 3598757, compound

HRID 1520730Notes

Reaction equation

Cl[CH2:2][C:3]1[N:7]([CH3:8])[N:6]=[CH:5][C:4]=1[N+:9]([O-:11])=[O:10].[Li+].[Br-:13]>>[Br:13][CH2:2][C:3]1[N:7]([CH3:8])[N:6]=[CH:5][C:4]=1[N+:9]([O-:11])=[O:10]

Participants

Reactant 2

HCID 82050Lithium Bromide

HCID 10965051HCID 10965051, compound

Product 1

HCID 3598757HCID 3598757, compoundYield 70%

Procedure

Reaction of 5-(chloromethyl)-1-methyl-4-nitro-1H-pyrazole (80 mg, 0.54 mmol) with LiBr according to general procedure B gave 5-(bromomethyl)-1-methyl-4-nitro-1H-pyrazole (70 mg, 70%) as a white crystalline solid, m.p. 71-73° C. 1H NMR (CDCl3, 400 MHz) δ 8.08 (s, 1H), 4.82 (s, 2H), 3.95 (s, 3H). Analysis found: C, 27.76; H, 3.08; N, 18.99. C5H6BrN3O2.0.02hexane requires: C, 27.73; H, 2.86; N, 18.95. HRMS (FAB+) found: 219.97223, 221.97012 (M+1), calcd. for C5H279/81BrN3O2: 219.97216, 221.97012.

Sources & evidence

ORD record: ord-c3a34b8d835c44c6b3cb18b0cbd69018
Source dataset: uspto-grants-2015_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09073916B2

Reaction notes

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