HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 521722Generated: October 30, 2026
Benzoyl isothiocyanate → HCID 90112953, compound
https://huagongshe.com/reaction/521722
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzoyl isothiocyanate | HCID 68284 | — |
| Reactant | HCID 90109782 | HCID 90109782 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 90112953 | HCID 90112953 | 109.5% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09328124B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-6ca166caa66c4a4ab4ff8b9b36f08aa5 |
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| Source note | uspto-grants-2016_05 |
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