Oxazole-4-carboxylic acid ethyl ester
Ethyl oxazole-4-carboxylate
CAS: 23012-14-8
Molecular Formula: C6H7NO3
Oxazole-4-carboxylic acid ethyl ester - Names and Identifiers
Oxazole-4-carboxylic acid ethyl ester - Physico-chemical Properties
| Molecular Formula | C6H7NO3 |
| Molar Mass | 141.12 |
| Density | 1.177g/mLat 25°C |
| Melting Point | 48°C |
| Boling Point | 101°C 14mm |
| Appearance | Crystalline powder |
| Color | White or Colorless to Almost white or Almost colorless |
| pKa | -1?+-.0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.467 |
| MDL | MFCD04114940 |
Oxazole-4-carboxylic acid ethyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| Hazard Note | Irritant |
Oxazole-4-carboxylic acid ethyl ester - Reference Information
| introduction | ethyl 4-oxazolate, English name Ethyl oxazole-4-carboxylate, is semi-solid and semi-liquid under normal temperature and pressure. Ethyl 4-oxazole formate is a compound with a smell similar to pyridine. It is slightly alkaline and easily soluble in water, ethanol, ether, etc. |
| Application | Ethyl 4-oxazole formate has a wide range of applications in the preparation of oxazole-type fluorescent whitening agents. In addition, in the synthesis and transformation, the structural ester group can be easily converted into a series of active functional groups such as hydroxyl, amide, aldehyde group, etc.; the two hydrogen atoms on the oxazole ring can be deuterated, introduce two deuterium atoms into the ring. |
| synthesis method | 1,1 '-carbonyl diimidazole (7.45g,46.0mmol) was added to anhydrous THF(50mL) solution of formic acid (1.73mL,46.0mmol) in batches within 3 minutes at room temperature. The obtained solution was stirred in nitrogen atmosphere for 30 minutes and ethyl isocyanoacetate (5.00mL,46.0mmol) was added, then TEA(12.8mL,92mmol) was added. The resulting solution was stirred at room temperature for 1 hour and allowed to reflux, after 20 hours, the mixture was cooled and vacuum concentrated, the residue was dissolved in Et2O and washed with water, the water layer was extracted with EtOAc(x4), and the combined organic matter was washed with brine. The separated organic layer is dried by sodium sulfate, filtered and vacuum concentrated. The residue was purified by rapid chromatography (EtOAc/hexane) to obtain 5.01g of pale yellow oily ethyl 4-oxazoloformate. |
Last Update：2024-04-09 20:49:11
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