Methyl 3-methylisoxazole-5-carboxylate
CAS No.:
1004-96-2
M. Wt:
141.12500
M. Fa:
C6H7NO3
InChI Key:
MBRNUSBFRMCWIZ-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of Methyl 3-methylisoxazole-5-carboxylate
CAS Number |
1004-96-2 |
|---|---|
EC Number |
213-730-1 |
MDL Number |
MFCD10699057 |
IUPAC Name |
methyl 3-methyl-1,2-oxazole-5-carboxylate |
InChI |
InChI=1S/C6H7NO3/c1-4-3-5(10-7-4)6(8)9-2/h3H,1-2H3 |
InChIKey |
MBRNUSBFRMCWIZ-UHFFFAOYSA-N |
Canonical SMILES |
CC1=NOC(=C1)C(=O)OC |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 3-methylisoxazole-5-carboxylate
Acidity coefficient |
-3.24±0.50(Predicted) |
|---|---|
Boiling Point |
227.6ºC at 760mmHg |
Density |
1.179g/cm3 |
Exact Mass |
141.04300 |
Flash Point |
91.4ºC |
Index of Refraction |
1.467 |
LogP |
0.76960 |
Melting Point |
108 °C |
Molecular Formula |
C6H7NO3 |
Molecular Weight |
141.12500 |
PSA |
52.33000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.077mmHg at 25°C |
Safety Information of Methyl 3-methylisoxazole-5-carboxylate
Applications of Methyl 3-methylisoxazole-5-carboxylate
Methyl 3-methylisoxazole-5-carboxylate finds applications in several fields:
- Organic Synthesis: Used as an intermediate in the preparation of more complex organic molecules.
- Pharmaceutical Development: Investigated for potential therapeutic agents due to its biological activities.
- Material Science: Explored for use in developing new materials with unique properties .
The versatility of this compound makes it valuable across various scientific domains.
Interaction Studies of Methyl 3-methylisoxazole-5-carboxylate
Interaction studies involving methyl 3-methylisoxazole-5-carboxylate focus on its binding affinity with different biological targets. Research has indicated:
- Enzyme Inhibition: It may inhibit certain enzymes, affecting metabolic pathways.
- Receptor Binding: Potential interactions with neurotransmitter receptors have been studied, suggesting implications for neurological applications .
These studies are crucial for understanding the compound's mechanism of action and potential therapeutic uses.
Biological Activity of Methyl 3-methylisoxazole-5-carboxylate
Methyl 3-methylisoxazole-5-carboxylate exhibits several biological activities, making it of interest in pharmacological research. Studies indicate that it may act as:
- Antimicrobial Agent: Exhibiting activity against certain bacterial strains.
- Anti-inflammatory Compound: Potentially useful in reducing inflammation in various models.
- Neuroprotective Effects: Some derivatives have shown promise in protecting neuronal cells from damage .
These activities are attributed to its ability to interact with various biological targets, including enzymes and receptors.
Physical sample testing spectrum (NMR) of Methyl 3-methylisoxazole-5-carboxylate
Cas:683-58-9
Cas:922-67-8
Cas:107-29-9