5-chloro-1-methyl-4-nitro-1H-pyrazole → 4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepan-2-one

HRID 2089408Notes

Reaction equation

HRID 2089408 reaction equation
Cl[C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[NH:11]1[CH2:17][CH2:16][CH2:15][NH:14][CH2:13][C:12]1=[O:18]>>[CH3:7][N:6]1[C:2]([N:14]2[CH2:15][CH2:16][CH2:17][NH:11][C:12](=[O:18])[CH2:13]2)=[C:3]([N+:8]([O-:10])=[O:9])[CH:4]=[N:5]1

Participants

3

Reactant 2

HCID 123448365-chloro-1-methyl-4-nitro-1H-pyrazoleHCID 134285321,4-Diazepan-2-one

Product 1

HCID 584648604-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepan-2-oneYield 92%

Procedure

Reaction of 5-chloro-1-methyl-4-nitro-1H-pyrazole and 1,4-diazepan-2-one gave 4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepan-2-one as an off-white solid (0.27 g, 92%). 1H NMR (400 MHz, CDCl3) δ 8.02 (s, 1H), 6.10 (s, 1H), 3.95-3.86 (m, 2H), 3.80 (s, 3H), 3.51-3.44 (m, 2H), 3.43-3.37 (m, 2H), 2.04-1.97 (m, 2H)

Sources & evidence

ORD record
ord-9918a001d2334b0dae7c5acee713b106
Source dataset
uspto-grants-2013_05
Patent number
US08436001B2

Reaction notes

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