Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 2-Ethylphenol | HCID 6997 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 1613166-38-3 | HCID 90202460 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 76281322 | HCID 76281322 | 58% |
Reaction Steps
To a mixture of 3-(4-bromomethyl-phenyl)-isoxazole-5-carboxylic acid amide (which may be prepared as described in Preparation of Intermediate 14; 30 mg, 0.107 mmol) in CH3CN (2 mL) were added 2-ethylphenol (21 μL, 0.178 mmol) and K2CO3 (30 mg, 0.22 mmol). The mixture was heated at 90° C. for 16 h and then evaporated to dryness. The residue was purified by chromatography (66-75% EtOAc/hexanes) to give 3-[4-(2-ethyl-phenoxymethyl)-phenyl]-isoxazole-5-carboxylic acid amide (20 mg, 58%) as a white powder. 1H NMR (300 MHz, DMSO-d6) δ ppm 8.39 (br. s., 1H), 8.01 (br. s., 1H), 7.93 (d, J=8.1 Hz, 2H), 7.55-7.64 (m, 3H), 7.08-7.19 (m, 2H), 7.01 (d, J=8.1 Hz, 1H), 6.87 (t, J=7.3 Hz, 1H), 5.19 (s, 2H), 2.63 (q, J=7.4 Hz, 2H), 1.10-1.19 (m, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09296711B2 |
|---|
| Source dataset | uspto-grants-2016_03 |
|---|
| ORD ID | ord-5cd470a56d2f46ba8dd3237a815c4c39 |
|---|
| Source note | uspto-grants-2016_03 |
|---|