Benzonitrile → HCID 178503251, compound

HRID 901896Notes

Reaction equation

HRID 901896 reaction equation
[C:1](#[N:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:9][S:10][C:11]1[CH:17]=[CH:16][C:14]([NH2:15])=[CH:13][CH:12]=1>>[CH3:9][S:10][C:11]1[CH:17]=[CH:16][C:14]([NH:15][C:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[NH:8])=[CH:13][CH:12]=1

Participants

3

Reactant 2

HCID 7505BenzonitrileHCID 660384-(Methylthio)aniline

Product 1

HCID 178503251HCID 178503251, compound

Procedure

The title compound was prepared from benzonitrile (3.705 g, 35.97 mmol) and 4-methylthioaniline (5.0 g, 35.97 mmol) by following the procedure described in preparation 1, (3.66 g, 42.1%, purity 99.8% by HPLC), mp 129-131° C. 1H-NMR (CDCl3):δ 2.49 (s, 3H), 4.84 (bs, 2H), 6.94-6.96 (d, 2H), 7.26-7.31 (m, 2H), 7.45-7.49 (m, 3H), 7.87-7.88 (d, 2H). MS m/z:243.2 (M+)

Workup

  1. customdescribed in preparation 1, (3.66 g, 42.1%, purity 99.8% by HPLC), mp 129-131° C

Sources & evidence

ORD record
ord-3e51a46a375e4172b245138d822ef911
Source dataset
uspto-grants-2008_04
Patent number
US07365069B2

Reaction notes

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