5-OXAZOLECARBOXALDEHYDE
Oxazole-5-carbaldehyde
CAS: 118994-86-8
Molecular Formula: C4H3NO2
5-OXAZOLECARBOXALDEHYDE - Names and Identifiers
5-OXAZOLECARBOXALDEHYDE - Physico-chemical Properties
| Molecular Formula | C4H3NO2 |
| Molar Mass | 97.07 |
| Density | 1.258±0.06 g/cm3(Predicted) |
| Melting Point | 30-32℃ |
| Boling Point | 184.7±13.0 °C(Predicted) |
| pKa | -1.09±0.10(Predicted) |
| Storage Condition | -20℃ |
5-OXAZOLECARBOXALDEHYDE - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36 - Irritating to the eyes R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
5-OXAZOLECARBOXALDEHYDE - Reference Information
| preparation | compound oxazole, phosphorus oxychloride and N,N-dimethylformamide were synthesized by Vilsmeier-Hacck reaction. the process route is simple to operate, high yield, and is suitable for industrial production. Experimental operation: method 1. added 7.0mL N,N-dimethylformamide into a 100mL three-neck bottle, cooled to 0~5 ℃, slowly added 1.0mL of phosphorus oxychloride, continued stirring for 20min, added 1.9g(10mmol) of oxazole dissolved in 3.0mL N,N-dimethylformamide solution at 10 ℃, dropped, reacted at 35 ℃ for 1h. Add 10mL of water under the cooling of ice water, adjust the pH value to neutral with 15% hydroxide, then reflux for 20min, cool to obtain a white-like solid, and purify the target compound oxazol-5-formaldehyde by silica gel column chromatography. Methods N,N-dimethylformamide (5mL) was 2. added into a 50mL flask, cooled to 0~5 ℃, then slowly added phosphorus oxychloride (0.5mL), and continued to stir at 0~5 ℃ for 20min after dropping. Then, the oxazole dissolved by N,N-dimethylformamide (2mL) is slowly added to the reaction bottle below 10 ℃, and the drop temperature is increased to 35 ℃ for 1h, I .e. the substituted indole is completely converted into salt by TLC detection. At this time, 3mL of water is added to the reaction solution under the cooling of ice water, and the pH value is adjusted to 8~9 with 30% sodium hydroxide aqueous solution, and then refluxed for 1h, that is, the salt generated by TLC detection is completely converted into substituted indole -3-formaldehyde compounds. After placing at room temperature, slowly pour the reaction solution into water and stir until the solids are the most, filter out to obtain the crude product, and recrystallize the filter cake with methanol to obtain oxazol-5-formaldehyde. |
Last Update：2024-04-09 21:04:16
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