HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl Acetate → 4-(5-Amino-3-tert-butyl-pyrazol-1-yl)phenol
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Aluminum(III) Chloride | HCID 6451240 | — |
| Reactant | 3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine | HCID 11139395 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | 4-(5-Amino-3-tert-butyl-pyrazol-1-yl)phenol | HCID 59557950 | 54.2% |
Reaction Steps
To a stirred solution of 5-tert-butyl-2-(4-methoxyphenyl)-2H-pyrazol-3-ylamine (5.3 g, 21.6 mmol) in anhydrous DCM (43.2 mL) was added aluminum trichloride (14.4 g, 108.0 mmol, 5.0 eq) proportion wise, and the reaction was stirred at reflux for 18 h. The cooled reaction was poured into ethyl acetate, and the organic layer was washed with water and brine, dried over Na2SO4, filtered, and concentrated at reduced pressure. Crystallization from DCM/ether afforded the title compound (2.71 g, 54%) as a white solid. 1H-NMR (DMSO-d6) δ 9.47 (s, 1H), 7.21 (d, J=9.0 Hz, 2H), 6.75 (d, J=8.7 Hz, 2H), 5.25 (s, 1H), 4.91 (broad s, 2H), 1.13 (s, 9H); MS LC-MS [M+H]+=232, RT=1.13 min; TLC (35% EtOAc/hex), Rf=0.13.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08207166B2 |
| Source dataset | uspto-grants-2012_06 |
| ORD ID | ord-68b32bed981f40f3b9269ed5fa43ecdd |
| Source note | uspto-grants-2012_06 |