HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 407374Erstellt: 24. Oktober 2026
Benzene, 1-chloro-3-isocyanato- → N-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N′-(3-chlorophenyl)urea
https://huagongshe.com/de/reaction/407374
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Benzene, 1-chloro-3-isocyanato- | HCID 17968 | — |
| Edukt | 3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyaniline | HCID 11572741 | — |
| Lösungsmittel | Dichloromethane | HCID 6344 | — |
| Produkt | N-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N′-(3-chlorophenyl)urea | HCID 11453346 | 92,2% |
Reaktionsschritte
To a stirred solution of 3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine (0.015 g, 0.051 mmol) in CH2Cl2 (1 mL) was added 3-chlorophenyl isocyanate (0.008 g, 7 μL, 0.054 mol, 1.05 equiv.). After the TLC showed the consumption of the starting material, it was isolated by preparative thin layer chromatography (TLC) (Eluent: EtOAc/Hexane=1/1) and Compound 20 (0.020 g, 0.047 mmol, 92%) was obtained as a solid film. LCMS m/z (%)=435 (M+H79Br, 68), 437 (M+H81Br, 100). 1H NMR (400 MHz, acetone-d6) δ: 8.29 (s, 1H), 8.19 (s, 1H), 7.80 (t, J=1.9 Hz, 1H), 7.29 (dd, J=2.7, 9.0 Hz, 1H), 7.49 (s, 1H), 7.43 (d, J=2.7 Hz, 1H), 7.34 (d, J=8.4 Hz, 1H), 7.26 (t, J=8.0 Hz, 1H), 7.14 (d, J=9.0 Hz, 1H), 7.00 (d, J=7.8 Hz, 1H), 3.82 (s, 3H), 3.68 (s, 3H).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patentnummer | US08754238B2 |
|---|
| Quelldatensatz | uspto-grants-2014_06 |
|---|
| ORD ID | ord-2540b711c82d4f8eade56f399ec86f7d |
|---|
| Quellennotiz | uspto-grants-2014_06 |
|---|