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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1639715Generated: October 31, 2026

Thiophosgene → 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

https://huagongshe.com/reaction/1639715

Reaction equation

Participants

RoleNameHCIDCharge
ReactantThiophosgeneHCID 10040—
Reactant4-Amino-2-(trifluoromethyl)benzonitrileHCID 522170—
SolventWaterHCID 962—
Product4-Isothiocyanato-2-(trifluoromethyl)benzonitrileHCID 11615540—

Reaction Steps

4-Amino-2-trifluoromethylbenzonitrile (2.23 g, 12 mmol) was added portionwise over 15 min into a well-stirred heterogeneous mixture of thiophosgene (1 mL, 13 mmol) in water (22 mL) at room temperature. Stirring was continued for an additional 1 h. The reaction medium was extracted with chloroform (3×15 ml). The combined organic phase was dried over MgSO4 and evaporated to dryness under reduced pressure to yield desired product 4-Isothiocyanato-2-trifluoromethylbenzonitrile (Formula 41) as brownish solid and was used as such for the next step (2.72 g, 11.9 mmol, 99%). 1H NMR δ 7.49 (dd, 1H, J=8.3 and 2.1), 7.59 (d, 1H, J=2.1), 7.84 (d, 1H, J=8.3).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08110594B2
Source datasetuspto-grants-2012_02
ORD IDord-165fb036992d4ef3ae97ab612d1a21bb
Source noteuspto-grants-2012_02