4-Fluorobenzonitrile → HCID 178503255, compound

HRID 901895Notes

Reaction equation

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

Participants

Reactant 2

HCID 145174-Fluorobenzonitrile

HCID 660384-(Methylthio)aniline

Product 1

HCID 178503255HCID 178503255, compound

Procedure

The title compound was prepared from 4-fluorobenzonitrile (2.176 g, 17.98 mmol) and 4-methylthioaniline (2.5 g, 17.98 mmol) by following the procedure described in preparation 1, (2.06 g, 44.1%, purity 98.8% by HPLC), mp 121-124° C. 1H-NMR (CDCl3):δ 2.48 (s, 3H), 4.82 (bs, 2H, D2O exchangeable), 6.91-6.93 (d, 2H), 7.1-7.14 (m, 2H), 7.26-7.30 (m, 2H), 7.86 (bs, 2H). MS m/z:261.1(M+)

Workup

customdescribed in preparation 1, (2.06 g, 44.1%, purity 98.8% by HPLC), mp 121-124° C

Sources & evidence

ORD record: ord-bb976d35efec44a0ac915d06e532f5e6
Source dataset: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07365069B2

Reaction notes

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