HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 72688Generated: October 25, 2026
Water → 1-(2,6-dichlorophenyl)-3-{1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-t-butyl-1H-pyrazol-5-yl}urea
https://huagongshe.com/reaction/72688
Participants
| Role | Name | HCID | Charge |
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| Reactant | Water | HCID 962 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,3-Dichloro-2-isocyanatobenzene | HCID 604537 | — |
| Reactant | 3-t-butyl-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine | HCID 24962681 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | 1-(2,6-dichlorophenyl)-3-{1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-t-butyl-1H-pyrazol-5-yl}urea | HCID 24957544 | — |
Reaction Steps
The solution of 3-t-butyl-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine (0.23 mmol) in dichloromethane (3 ml) was treated with 2,6-dichlorophenyl isocyanate (0.056 g, 0.3 mmol) in the presence of triethylamine (0.05 ml), and the reaction was mixture was stirred at room temperature, overnight. Subsequently water (15 ml) was added to above and it was extracted with ethyl acetate (25 ml). The organic layer was evaporated and the crude material purified by column chromatography; elution with 1.5% of ethyl acetate in hexane yielded the title compound. 1H-NMR (CDCl3) δ: 0.86 (s, 9H), 6.58 (s, 1H), 7.02-7.05 (m, 3H), 7.14 (d, 2H), 7.24-7.33 (m, 8H), 8.43-8.44 (br, 1H, D2O exchangeable), 10.52 (br, 1H, D2O exchangeable); MS m/z: 625 (M+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08828999B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-c7a0425e033a49e4a5951a5e40744119 |
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| Source note | uspto-grants-2014_09 |
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