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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 521722Generated: October 30, 2026

Benzoyl isothiocyanate → HCID 90112953, compound

https://huagongshe.com/reaction/521722

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzoyl isothiocyanateHCID 68284—
ReactantHCID 90109782HCID 90109782—
SolventTetrahydrofuranHCID 8028—
ProductHCID 90112953HCID 90112953109.5%

Reaction Conditions

Temperature0 °C

Reaction Steps

Benzoyl isothiocyanate (511 μL 3.79 mmol) is added drop wise to a stirred solution of 5-(5-fluoropyrimidin-2-yl)-6a-(3-pyridyl)-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]isoxazole (640 mg, 2.23 mmol) in tetrahydrofuran (20 mL) at 0° C. The resulting mixture is stirred at 0° C. for 1 hour and is warmed to room temperature over 1 hour. The solvent is evaporated under vacuum and the resulting residue is purified by silica gel chromatography using a 0-5% gradient of 0.14 M ammonia/methanol solution in dichloromethane to give the title compound (1.1 g, quantitative). ES/MS (m/e): 451 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09328124B2
Source datasetuspto-grants-2016_05
ORD IDord-6ca166caa66c4a4ab4ff8b9b36f08aa5
Source noteuspto-grants-2016_05