2-Methyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-one → N-(2-methyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl)-2-methyl-propane-2-sulfinamide

HRID 521840Notes

Reaction equation

HRID 521840 reaction equation
[CH2:1]([CH:3]1[CH2:9][CH:8]([NH:10][S:11]([C:13]([CH3:16])([CH3:15])[CH3:14])=[O:12])[CH2:7][CH2:6][CH:5]([C:17]2[N:18]([CH3:25])[N:19]=[CH:20][C:21]=2[N+:22]([O-:24])=[O:23])[O:4]1)C.CC1CC(=O)CCC(C2N(C)N=CC=2[N+]([O-])=O)O1>>[CH3:1][CH:3]1[CH2:9][CH:8]([NH:10][S:11]([C:13]([CH3:16])([CH3:14])[CH3:15])=[O:12])[CH2:7][CH2:6][CH:5]([C:17]2[N:18]([CH3:25])[N:19]=[CH:20][C:21]=2[N+:22]([O-:24])=[O:23])[O:4]1

Participants

3

Reactant 2

HCID 867137742-Methyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-oneHCID 86713781N-(2-ethyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl)-2-methyl-propane-2-sulfinamide

Product 1

HCID 86713782N-(2-methyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl)-2-methyl-propane-2-sulfinamide

Procedure

Following the procedure for Intermediate 13 starting from 2-methyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-one gave N-(2-methyl-7-(2-methyl-4-nitro-pyrazol-3-yl)oxepan-4-yl)-2-methyl-propane-2-sulfinamide as an off-white solid (208 mg, 40% over two steps). 1H NMR (400 MHz, CDCl3) δ 8.01 (s, 1H), 5.63-5.51 (m, 1H), 4.05 (s, 3H), 3.86-3.72 (m, 2H), 3.19-3.11 (m, 1H), 2.22-1.69 (m, 6H), 1.29-1.20 (m, 12H).

Sources & evidence

ORD record
ord-9f8d4fc1e12d482795ee47139f6a7a92
Source dataset
uspto-grants-2016_05
Patent number
US09328106B2

Reaction notes

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