HuagongsheHuagongshe Chemistry Print Report · For research reference only
Triethylamine → 5-[5-(5-Chloro-2-methoxy-phenyl)-isoxazol-3-yl]-pentanoic acid ethyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,4-Diisocyanatobenzene | HCID 61009 | — |
| Reactant | Ethyl 6-nitrohexanoate | HCID 13717120 | — |
| Reactant | 4-Chloro-2-ethynyl-1-methoxybenzene | HCID 23260703 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | 5-[5-(5-Chloro-2-methoxy-phenyl)-isoxazol-3-yl]-pentanoic acid ethyl ester | HCID 59167764 | 64.5% |
Reaction Steps
Add 1,4-phenylenediisocyanate (8.41 g, 52.5 mmol) to a stirred solution of 4-chloro-2-ethynyl-1-methoxy-benzene (4.0 g, 30.3 mmol) and 6-nitro-hexanoic acid ethyl ester (8.6 g, 45.4 mmol) in toluene (300 mL, anhydrous) and stir at room temperature under N2. Add triethylamine (7.3 mL, 52.5 mmol) and heat to reflux under N2 overnight. Filter mixture through a pad of Celite® and rinse with toluene. Concentrate to get 6.6 g of a orange oil. Adsorb on SiO2 and purify the residue by flash chromatography on silica gel eluting with 0-40% EtOAc/hexanes to afford the title compound (4.51 g, 76%). MS (IS) 338 (M+1)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08765796B2 |
| Source dataset | uspto-grants-2014_07 |
| ORD ID | ord-e510883347944519853b26d7757fc91b |
| Source note | uspto-grants-2014_07 |