HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 492778Generated: October 31, 2026
Phenylacetyl chloride → Phenylacetyl isothiocyanate
https://huagongshe.com/reaction/492778
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Phenylacetyl chloride | HCID 7679 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Potassium thiocyanate | HCID 516872 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | Phenylacetyl isothiocyanate | HCID 12454157 | — |
Reaction Steps
2-Phenylacetyl chloride (0.180 ml) was dissolved in acetonitrile (20 ml) under a nitrogen atmosphere, and then potassium thiocyanate (197 mg) was added thereto at 50° C., followed by stirring at the same temperature for 2 hrs. The reaction mixture was concentrated under a reduced pressure to give a residue, to which ethyl acetate (20 ml) and a saturated aqueous solution of sodium hydrogencarbonate (20 ml) were then added, followed by stirring for 30 min. The organic layer was separated, washed with brine, and dried over anhydrous sodium sulfate. The solvent was evaporated to provide 2-phenylacetyl isothiocyanate, which was used to prepare a solution in toluene (5 ml)-ethanol (5 ml). To the solution was added 4-(4-amino-2-fluorophenoxy)-2-[(4-hydroxypiperidin-1-yl)carbonylamino]pyridine (168 mg), followed by stirring overnight. The reaction mixture was concentrated under a reduced pressure to give a residue, which was then purified by silica gel column chromatography (eluent; ethyl acetate:methanol=95:5). Fractions containing the target compound were concentrated to give a residue, to which diethyl ether (20 ml) was added to suspend. The resultant solid was filtered off and dried under aeration to provide the titled compound (106 mg, 42%) as white powder.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US07531532B2 |
|---|
| Source dataset | uspto-grants-2009_05 |
|---|
| ORD ID | ord-bad0ef964477460fa6d668da0ebd1d64 |
|---|
| Source note | uspto-grants-2009_05 |
|---|