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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1401355Generated: October 30, 2026

Ammonium thiocyanate → 2-(4-Fluorophenyl)acetyl isothiocyanate

https://huagongshe.com/reaction/1401355

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAmmonium thiocyanateHCID 15666—
Reactant4-Fluorophenylacetyl chlorideHCID 3744988—
SolventAcetonitrileHCID 6342—
Product2-(4-Fluorophenyl)acetyl isothiocyanateHCID 23153248—

Reaction Conditions

Temperature50 °C

Reaction Steps

To a solution of crude 1a (27.4 g, 159 mmol) from the previous step in MeCN (159 mL) was added ammonium thiocyanate (12.69 g, 167 mmol, 1.05 eq.). The fine yellow slurry was heated at 50° C. for 1 h. After cooling down to 0° C., the reaction mixture was filtered through a Celite pad and the cake was washed with MeCN (10 mL). The filtrate and washings were combined and concentrated to a volume of 30-40 mL, cooled again to 0° C. and filtered through a Celite pad. The cake was washed with MeCN (10 mL). The filtrate and washings were combined and concentrated to the same volume of 30-40 mL. The resultant solution contained 2-(4-fluorophenyl)acetyl isothiocyanate (2, assumed quantitative yield, Method B). Half of this solution was used in the next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08907091B2
Source datasetuspto-grants-2014_12
ORD IDord-55391a139af74659828dc07a9fc9e34a
Source noteuspto-grants-2014_12