5-Acetylsalicylamide
- CAS NO.：40187-51-7
- Empirical Formula: C9H9NO3
- Molecular Weight: 179.17
- MDL number: MFCD00049222
- EINECS: 254-830-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-25 16:21:11
What is 5-Acetylsalicylamide?
Chemical properties
cream to beige powder
The Uses of 5-Acetylsalicylamide
5-Acetylsalicylamide is used as a reagent in the synthesis of Phosphotyrosine(P365000) peptidomimetic prodrugs, compounds that have similar structure to small protein-like chains in order to mimic peptide activities. 5-Acetylsalicylamide is also used as a reagent to prepare 4-aminopiperidine ureas, compounds that act as human β3 adrenergic receptor agonists.
Synthesis
Using 1-butyl-3-methylimidazolium chloroaluminate ([BMIM]Cl-nAlCl3) and N-butylpyridinium chloroaluminate ([BPy]Cl-nAlCl3) ionic liquids as both catalyst and solvent in the Friedel–Crafts acylation of salicylamide with acetyl chloride to 5-acetylsalicylamide.
Properties of 5-Acetylsalicylamide
| Melting point: | 220-222 °C(lit.) |
| Boiling point: | 311.69°C (rough estimate) |
| Density | 1.2822 (rough estimate) |
| refractive index | 1.5600 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 6.57±0.18(Predicted) |
| color | White to Light Brown |
| CAS DataBase Reference | 40187-51-7(CAS DataBase Reference) |
Safety information for 5-Acetylsalicylamide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 5-Acetylsalicylamide
| InChIKey | LWAQTCWTCCNHJR-UHFFFAOYSA-N |
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