4-Fluoro-3-methylphenylacetic acid
CAS No.:
1000520-92-2
M. Wt:
168.16500
M. Fa:
C9H9FO2
InChI Key:
VZDGZGNZGMJNPR-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 4-Fluoro-3-methylphenylacetic acid
CAS Number |
1000520-92-2 |
|---|---|
MDL Number |
MFCD09832241 |
IUPAC Name |
2-(4-fluoro-3-methylphenyl)acetic acid |
InChI |
InChI=1S/C9H9FO2/c1-6-4-7(5-9(11)12)2-3-8(6)10/h2-4H,5H2,1H3,(H,11,12) |
InChIKey |
VZDGZGNZGMJNPR-UHFFFAOYSA-N |
Canonical SMILES |
CC1=C(C=CC(=C1)CC(=O)O)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Fluoro-3-methylphenylacetic acid
Acidity coefficient |
4.27±0.10(Predicted) |
|---|---|
Boiling Point |
279.9±25.0 °C(Predicted) |
Density |
1.224±0.06 g/cm3(Predicted) |
Exact Mass |
168.05900 |
LogP |
1.76120 |
Melting Point |
105-107 °C |
Molecular Formula |
C9H9FO2 |
Molecular Weight |
168.16500 |
PSA |
37.30000 |
Safety Information of 4-Fluoro-3-methylphenylacetic acid
Applications of 4-Fluoro-3-methylphenylacetic acid
4-Fluoro-3-methylphenylacetic acid has several applications:
- Pharmaceuticals: It serves as an intermediate in the synthesis of various drugs, particularly those targeting inflammatory conditions or infections.
- Research: Used in biochemical studies to explore structure-activity relationships in drug design.
- Chemical Manufacturing: Acts as a building block for creating more complex chemical entities in organic synthesis.
The unique properties imparted by the fluorine atom make it valuable in these contexts.
Interaction Studies of 4-Fluoro-3-methylphenylacetic acid
Interaction studies involving 4-Fluoro-3-methylphenylacetic acid focus on its binding affinity and effectiveness against specific biological targets. Preliminary studies suggest that compounds with similar structures may interact with enzymes or receptors involved in inflammatory pathways or microbial resistance mechanisms. Understanding these interactions is crucial for optimizing its use in therapeutic applications and determining potential side effects or contraindications.
Physical sample testing spectrum (NMR) of 4-Fluoro-3-methylphenylacetic acid
