5-chloro-1-methyl-4-nitro-1H-pyrazole → HCID 58464976, compound

HRID 2089424Notes

Reaction equation

HRID 2089424 reaction equation
Cl[C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[O:11]1[CH2:17][CH2:16][CH2:15][NH:14][CH2:13][CH2:12]1>>[CH3:7][N:6]1[C:2]([N:14]2[CH2:15][CH2:16][CH2:17][O:11][CH2:12][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 218732751,4-Oxazepane

Product 1

HCID 58464976HCID 58464976, compoundYield 52%

Procedure

Reaction of 5-chloro-1-methyl-4-nitro-1H-pyrazole and 1,4-oxazepane gave 4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-oxazepane as a yellow oil (72 mg, 52%). 1H NMR (400 MHz, CDCl3) δ 8.03 (s, 1H), 3.94 (t, J=5.6 Hz, 2H), 3.88-3.84 (m, 2H), 3.80 (s, 3H), 3.40-3.35 (m, 4H), 2.07-1.99 (m, 2H)

Sources & evidence

ORD record
ord-227fd738a94b4ab084779ad5c6d90bdf
Source dataset
uspto-grants-2013_05
Patent number
US08436001B2

Reaction notes

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