HuagongsheHuagongshe Chemistry Print Report · For research reference only
Thiourea → 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Thiourea | HCID 2723790 | — |
| Reactant | Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate | HCID 2737165 | — |
| Solvent | Ethanol | HCID 702 | — |
| Product | 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester | HCID 67656 | 75.4% |
Reaction Steps
To a solution of ethyl 2-chloro-4,4,4-trifluoroacetoacetate (50.0 g, 230 mmol) in ethanol (250 mL) was added thiourea (17.5 g, 230 mmol). The resulting mixture was heated at reflux for 3 h, at which time TLC indicated a complete reaction. The mixture was concentrated in vacuo, and the residue dissolved in ether. The organic layer was successively washed with aqueous sodium bicarbonate, and brine, then dried over magnesium sulfate and concentrated in vacuo. The resulting solid was recrystalized with ethyl acetate and hexanes to give white crystals (41.64 g, 75% yield). 1H NMR (MeOD-d4, 300 MHz): δ 4.26 (q, J=7.1 Hz, 2H), 1.31 (t, J=7.1 Hz, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06933308B2 |
| Source dataset | uspto-grants-2005_08 |
| ORD ID | ord-3a814840bf04403192d8ada397aa463e |
| Source note | uspto-grants-2005_08 |