HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 408753Generated: October 29, 2026
Benzoyl isothiocyanate → 1-Benzoyl-3-(2,6-dibromo-4-fluoro-phenyl)-thiourea
https://huagongshe.com/reaction/408753
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzoyl isothiocyanate | HCID 68284 | — |
| Reactant | 2,6-Dibromo-4-fluoroaniline | HCID 242872 | — |
| Catalyst | 4-(Dimethylamino)pyridine | HCID 14284 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | 1-Benzoyl-3-(2,6-dibromo-4-fluoro-phenyl)-thiourea | HCID 86651249 | 85.2% |
Reaction Steps
A mixture of 2,6-dibromo-4-fluoro-phenylamine (1.00 g, 3.72 mmol), benzoyl isothiocyanate (0.600 ml, 4.46 mmol), dimethyl-pyridin-4-yl-amine (45.0 g, 0.370 mmol), and toluene (5 ml) was stirred at 23° C. for 16 hours. The resulting precipitate was collected by filtration and washed with hexane to yield titled compound (1.37 g, 85%). MS (ESI/CI): mass calcd. for C14H9Br2FN2OS, 429.9; m/z found, 430.9 [M+H]+. 1H NMR (400 MHz, CD3OD-d4): 8.05-7.98 (m, 2H), 7.73-7.66 (m, 1H), 7.62-7.55 (m, 4H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08759345B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-934274ab6c6846e187c29af9b99487ad |
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| Source note | uspto-grants-2014_06 |
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