HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2183113Generated: October 29, 2026
4-Fluorophenyl isocyanate → HCID 22480350, compound
https://huagongshe.com/reaction/2183113
Participants
| Role | Name | HCID | Charge |
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| Reactant | 4-Fluorophenyl isocyanate | HCID 70955 | — |
| Reactant | HCID 57440918 | HCID 57440918 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | HCID 22480350 | HCID 22480350 | 19.1% |
Reaction Steps
To a solution of 3-(4-fluorophenyl)-1-(2-methoxyethoxy)-1H-indazole-5-ylamine (115 mg, 0.36 mmol) in dioxane (5 mL) was added 4-fluorophenyl isocyanate (50 μL, 0.44 mmol). The reaction was stirred overnight at room temperature. It was then filtered and the solid dried in a vaxuum oven. The solid was then taken up in 6N HCl (10 mL) and methanol (10 mL) and heated to 80° C. for 2 hours. The reaction was then cooled to room temperature and quenched with NaHCO3 (100 mL) and extracted with ethyl acetate (3×40 mL). The organic layers were combined and dried with magnesium sulfate (MgSO4) and concentrated to a solid to afford the title compound (25 mg, 19% yield). 1H NMR (CDCl3) δ 13.1 (br s, 1H), 9.32 (s, 2H), 8.28 (s, 1H), 7.94 (dd, 2H), 7.52 (d, 1H), 7.48 (dd, 2H), 7.38 (t, 2H), 7.33 (dd, 1H), 7.11 (t, 2H); ES-MS (m/z) 364 [M+1]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06897231B2 |
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| Source dataset | uspto-grants-2005_05 |
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| ORD ID | ord-42dffdbf63c042c189b34394fcfe806a |
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| Source note | uspto-grants-2005_05 |
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