5-Methylisoxazole-3-carboxylic acid
Synonym(s):3-Carboxy-5-methylisoxazole;5-Methyl-3-isoxazolecarboxylic acid
- CAS NO.：3405-77-4
- Empirical Formula: C5H5NO3
- Molecular Weight: 127.1
- MDL number: MFCD01318162
- EINECS: 222-289-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-25 20:04:51
What is 5-Methylisoxazole-3-carboxylic acid?
Chemical properties
Off-white solid
The Uses of 5-Methylisoxazole-3-carboxylic acid
5-Methylisoxazole-3-carboxylic Acid is a metabolite of UTL-5b, a structural analog of the anti-arthritic drug, Leflunomide (L322750).
The Uses of 5-Methylisoxazole-3-carboxylic acid
Reactant for:• ;Click/aza-Michael or Click/oligomeric alkyl carbodiimide esterification reactions1• ;Preparation of aminopyrazole amide derivatives as Raf kinase inhibitors in melanoma cells2• ;Preparation of trifluoromethoxyphenyl(thiazolyl)pyrroles and other heterocycle-bearing polyfunctionalized pyrroles via chain heterocyclization3
The Uses of 5-Methylisoxazole-3-carboxylic acid
Reactant for:
- Click/aza-Michael or Click/oligomeric alkyl carbodiimide esterification reactions
- Preparation of aminopyrazole amide derivatives as Raf kinase inhibitors in melanoma cells
- Preparation of trifluoromethoxyphenyl(thiazolyl)pyrroles and other heterocycle-bearing polyfunctionalized pyrroles via chain heterocyclization
Properties of 5-Methylisoxazole-3-carboxylic acid
| Melting point: | 168 °C |
| Boiling point: | 312.5±22.0 °C(Predicted) |
| Density | 1.348±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.46±0.10(Predicted) |
| color | Off-White to Pale Beige |
| BRN | 114094 |
| CAS DataBase Reference | 3405-77-4(CAS DataBase Reference) |
Safety information for 5-Methylisoxazole-3-carboxylic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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. |
Computed Descriptors for 5-Methylisoxazole-3-carboxylic acid
| InChIKey | BNMPIJWVMVNSRD-UHFFFAOYSA-N |
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