HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Dichloro-3-isocyanatobenzene → ethyl 4-{3-t-butyl-5-[3-(2,3-dichlorophenyl)-ureido]-1H-pyrazol-1-yl}benzoate
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|---|---|---|
| Edukt | 1,2-Dichloro-3-isocyanatobenzene | HCID 33050 | — |
| Edukt | Pentanenitrile, 4,4-dimethyl-3-oxo- | HCID 108871 | — |
| Edukt | Ethyl 4-hydrazinylbenzoate | HCID 792992 | — |
| Edukt | ethyl 4-(3-t-butyl-5-amino-1H-pyrazol-1-yl)benzoate | HCID 12044795 | — |
| Produkt | ethyl 4-{3-t-butyl-5-[3-(2,3-dichlorophenyl)-ureido]-1H-pyrazol-1-yl}benzoate | HCID 58851257 | 48% |
Reaktionsschritte
Using General method A, ethyl 4-(3-t-butyl-5-amino-1H-pyrazol-1-yl)benzoate (1 g, 3.09 mmol, prepared from ethyl 4-hydrazinobenzoate and pivaloylacetonitrile by the procedure of Regan, et al., J. Med. Chem., 45, 2994 (2002)) and 1,2-dichloro-3-isocyanato-benzene (0.7 g, 3.71 mmol) were combined to afford ethyl 4-{3-t-butyl-5-[3-(2,3-dichlorophenyl)-ureido]-1H-pyrazol-1-yl}benzoate (0.7 g, 48% yield). 1H NMR (300 MHz, DMSO-d6): δ 9.20 (brs, 1H), 8.77 (brs, 1H), 8.04 (m, 1H), 7.44 (brs, 4H), 7.29-7.26 (m, 2H), 6.36 (s, 1H), 4.31 (q, J=7.2 Hz, 2H), 1.27 (s, 9H), 1.26 (t, J=7.2 Hz, 3H).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patentnummer | US08163756B2 |
| Quelldatensatz | uspto-grants-2012_04 |
| ORD ID | ord-6e4af1ba9def40e9a0b95c5acc9639e9 |
| Quellennotiz | uspto-grants-2012_04 |