5-chloro-1-methyl-4-nitro-1H-pyrazole → 4,4-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)azepane

HRID 1185358Notes

Reaction equation

HRID 1185358 reaction equation
Cl[C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[F:11][C:12]1([F:19])[CH2:18][CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1>>[F:11][C:12]1([F:19])[CH2:18][CH2:17][CH2:16][N:15]([C:2]2[N:6]([CH3:7])[N:5]=[CH:4][C:3]=2[N+:8]([O-:10])=[O:9])[CH2:14][CH2:13]1

Participants

3

Reactant 2

HCID 123448365-chloro-1-methyl-4-nitro-1H-pyrazoleHCID 533934824,4-Difluoroazepane

Product 1

HCID 584648844,4-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)azepaneYield 100%

Procedure

Reaction of 5-chloro-1-methyl-4-nitro-1H-pyrazole and 4,4-difluoroazepane gave 4,4-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)azepane as a white solid (0.41 g, 100%). 1H NMR (400 MHz, CDCl3) δ 8.04 (s, 1H), 3.79 (s, 3H), 3.39-3.23 (m, 4H), 2.35-2.20 (m, 4H), 2.00-1.92 (m, 2H)

Sources & evidence

ORD record
ord-7e9e6fa3dde343f18062b190ec341325
Source dataset
uspto-grants-2014_03
Patent number
US08669361B2

Reaction notes

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