HuagongsheHuagongshe Chemistry Print Report · For research reference only
{2-[4-[1,3]Dioxolan-2-ylmethyl-5-(4-fluoro-phenyl)-1-isopropyl-1H-pyrazol-3-yl]-ethyl}-carbamic acid benzyl ester → 3-(4-Fluoro-phenyl)-2-isopropyl-7,8-dihydro-2H-1,2,6-triaza-azulene-6-carboxylic acid benzyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | {2-[4-[1,3]Dioxolan-2-ylmethyl-5-(4-fluoro-phenyl)-1-isopropyl-1H-pyrazol-3-yl]-ethyl}-carbamic acid benzyl ester | HCID 54754013 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Trifluoroacetic acid | HCID 6422 | — |
| Product | 3-(4-Fluoro-phenyl)-2-isopropyl-7,8-dihydro-2H-1,2,6-triaza-azulene-6-carboxylic acid benzyl ester | HCID 17753627 | — |
Reaction Steps
A solution of {2-[4-[1,3]dioxolan-2-ylmethyl-5-(4-fluoro-phenyl)-1-isopropyl-1H-pyrazol-3-yl]-ethyl}-carbamic acid benzyl ester (0.5 g, 1.1 mmol) in TFA (10 mL) and water (2 mL) was heated at reflux for 2 h. The mixture was concentrated and the residue was purified by FCC to provide the title compound. HPLC: RT=11.00 min. MS (ESI): mass calcd. for C24H24FN3O2, 405.19; m/z found, 406.3 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07915404B2 |
| Source dataset | uspto-grants-2011_03 |
| ORD ID | ord-c1286b9f475a426f98d52534ba228182 |
| Source note | uspto-grants-2011_03 |