HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1012629Generated: November 1, 2026
Isopropyl isocyanate → HCID 58677553, compound
https://huagongshe.com/reaction/1012629
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isopropyl isocyanate | HCID 61277 | — |
| Reactant | (5-Amino-2-methyl-phenyl)-[2-chloro-4-(2,4-difluoro-phenylamino)-phenyl]-methanone | HCID 11538012 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | HCID 58677553 | HCID 58677553 | — |
Reaction Steps
Compound 494 (0.03 g, 0.08 mmol) was dissolved in 1,4-dioxan (0.5 mL) and isopropyl isocyanate (0.012 mL, 0.12 mmol) was added. The solution was stirred at 50° C. for 24 h. Isopropyl isocyanate (0.006 mL, 0.06 mmol) was added. The solution was stirred at 50° C. for 24 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 (CD3OD) δ 198.4, 160.9 (dd), 157.8 (dd), 157.4, 151.1, 140.9, 138.7, 136.1, 134.9, 132.6, 131.9, 128.7, 127.3 (dd), 125.9 (dd), 122.4, 120.7, 116.6, 112.9, 112.6 (dd), 105.7 (dd), 42.8, 23.4, 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-8c9ec022eaa344bd96dafffd1a9f736d |
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| Source note | uspto-grants-2011_07 |
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