4-(Methylthio)aniline → HCID 178503253, compound

HRID 901897

Reaction equation

HRID 901897 reaction equation
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:10]=[CH:9][C:6]([C:7]#[N:8])=[CH:5][CH:4]=1.[CH3:13][S:14][C:15]1[CH:21]=[CH:20][C:18]([NH2:19])=[CH:17][CH:16]=1>>[CH3:13][S:14][C:15]1[CH:21]=[CH:20][C:18]([NH:19][C:7]([C:6]2[CH:5]=[CH:4][C:3]([C:2]([F:1])([F:11])[F:12])=[CH:10][CH:9]=2)=[NH:8])=[CH:17][CH:16]=1

Participants

3

Reactant 2

HCID 660384-(Methylthio)anilineHCID 67995Benzonitrile, 4-(trifluoromethyl)-

Product 1

HCID 178503253HCID 178503253, compound

Procedure

The title compound was prepared from 4-trifluoromethylbenzonitrile (0.62 g, 3.6 mmol) and 4-methylthioaniline (0.5 g, 3.6 mmol) by following the procedure described in preparation 1, (0.495 g, 44.4%, purity 98.3% by HPLC), mp 144-146° C. 1H-NMR (CDCl3):δ 2.49 (s, 3H), 4.8 (bs, 2H), 6.93-6.95 (d, 2H), 7.26-7.32 (m, 2H), 7.70-7.72 (d, 2H), 7.99-8.01 (d, 2H). MS m/z:311.1(M+).

Workup

  1. customdescribed in preparation 1, (0.495 g, 44.4%, purity 98.3% by HPLC), mp 144-146° C

Sources & evidence

ORD record
ord-ec2880f44c0a417f809b6b35190eed7b
Source dataset
uspto-grants-2008_04
Patent number
US07365069B2

Linked notes

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