118994-90-4
OXAZOLE-5-CARBOXYLIC ACID
CAS: 118994-90-4
Molecular Formula: C4H3NO3
118994-90-4 - Names and Identifiers
| Name | OXAZOLE-5-CARBOXYLIC ACID |
| Synonyms | 5-Carboxy-1,3-oxazole 5-OXAZOLECARBOXYLIC ACID oxazol-5-carboxylic acid OXAZOLE-5-CARBOXYLIC ACID 5-Oxazolecarboxylicacid(9CI) 1,3-Oxazole-5-carboxylic acid Oxazole-5-carboxylic acid, 98+ |
| CAS | 118994-90-4 |
| InChI | InChI=1/C4H3NO3/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7) |
| InChIKey | QCGMEWVZBGQOFN-UHFFFAOYSA-N |
118994-90-4 - Physico-chemical Properties
| Molecular Formula | C4H3NO3 |
| Molar Mass | 113.07 |
| Density | 1.449±0.06 g/cm3(Predicted) |
| Melting Point | 195-197 |
| Boling Point | 289.3±13.0 °C(Predicted) |
| Flash Point | 128.778°C |
| Water Solubility | Soluble in water. |
| Vapor Presure | 0.001mmHg at 25°C |
| pKa | 2.39±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.517 |
118994-90-4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| WGK Germany | 3 |
| Hazard Note | Irritant |
118994-90-4 - Reference Information
| introduction | oxazol-5-carboxylic acid is an organic intermediate, which can be obtained by hydrolysis of ethyl 5-oxazolate with lithium hydroxide. There are reports that it can be used to prepare GPR119 agonists. |
| preparation | the aqueous solution of lithium hydroxide monohydrate (124.5kg solution prepared by dissolving 49.44kg of lithium hydroxide monohydrate in 319 kg of water, 398 mol) is added to ethyl 5-oxazolate (54kg, 382.7 mol) in water (54kg) solution (keep the temperature below 25 ℃). Stir the reaction 6.5 h, then add concentrated HCl aqueous solution (64.8kg)(keep the temperature below 25 ℃), cool the crystallization to 5 ℃ and keep it for 1 h. The product was filtered out, washed with cold water (88 kg), then washed with isopropanol (171kg) and dried under vacuum at 50°C to obtain the title compound (37.88kg, 87.5%). |
Last Update：2024-04-09 21:11:58
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