HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol hydrochloride
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | (S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol | HCID 56833308 | — |
| Solvent | Acetonitrile--water (1/1) | HCID 18373917 | — |
| Product | (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol hydrochloride | HCID 66617204 | 102.5% |
Reaction Steps
To a suspension of (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol (4.33 g) in 1:1 CH3CN/H2O (100 mL) was added 1N HCl (15.5 mL, 15.5 mmol). The solution was frozen and lyophilized to afford 4.9 g of (S)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol hydrochloride as a solid. 1H NMR (300 MHz, DMSO-d6) δ 14.61 (br s., 1H), 12.16 (br s., 1H), 8.84 (d, J=8.1 Hz, 1H), 8.24 (d, J=8.1 Hz, 1H), 8.02-8.13 (m, 1H), 7.73-7.88 (m, 1H), 7.55-7.70 (m, 2H), 7.18-7.36 (m, 2H), 6.21 (s, 1H), 6.02 (s, 1H), 3.93 (br s, 2H, obscured by H2O peak), 2.26 (s, 3H); LC-MS (ESI) m/z: 350 (M+H)+. Analysis by chiral HPLC showed that the HCl salt had an enantiomeric excess of about 100%.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09295672B2 |
| Source dataset | uspto-grants-2016_03 |
| ORD ID | ord-1975b871d8504d90a913106e230a0ba4 |
| Source note | uspto-grants-2016_03 |