HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1012626Generated: October 26, 2026
Phenethyl isocyanate → 1-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-3-phenethyl-urea
https://huagongshe.com/reaction/1012626
Participants
| Role | Name | HCID | Charge |
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| Reactant | Phenethyl isocyanate | HCID 160602 | — |
| Reactant | (5-Amino-2-methyl-phenyl)-[2-chloro-4-(2,4-difluoro-phenylamino)-phenyl]-methanone | HCID 11538012 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 1-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-3-phenethyl-urea | HCID 58677651 | — |
Reaction Steps
Compound 494 (0.03 g, 0.08 mmol) was dissolved in 1,4-dioxan (0.5 mL) and 2-phenylethyl isocyanate (0.016 mL, 0.12 mmol) was added. The solution was stirred at 50° C. for 18 h. Work up as described in the preparation of compound 259. The crude product was purified by flash chromatography using a gradient of EtOAc/petroleum ether (40-60) 15:85→60:40 as the eluent. This afforded the title compound as a slightly coloured solid. 13C NMR (CDCl3) δ 196.5, 159.2 (dd), 156.0, 155.6 (dd), 148.1, 139.6, 138.9, 136.5, 135.1, 133.9, 132.2, 131.9, 128.7, 128.5, 126.4, 124.6 (dd), 124.2 (dd), 123.1, 121.1, 116.2, 112.7, 111.6 (dd), 104.9 (dd), 41.5, 36.3, 19.6
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07977387B2 |
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| Source dataset | uspto-grants-2011_07 |
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| ORD ID | ord-78d2e32edf9843b5842075a95b543f99 |
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| Source note | uspto-grants-2011_07 |
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