(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
Names and Identifiers of 1000414-38-9
CAS Number |
1000414-38-9 |
|---|---|
MDL Number |
MFCD20488619 |
IUPAC Name |
methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate |
InChI |
InChI=1S/C11H12O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-3,5,7,12H,4,6H2,1H3/t7-/m1/s1 |
InChIKey |
RHMDISFJOKCCAQ-SSDOTTSWSA-N |
Canonical SMILES |
COC(=O)CC1COC2=C1C=CC(=C2)O |
Isomeric SMILES |
COC(=O)C[C@@H]1COC2=C1C=CC(=C2)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000414-38-9
Acidity coefficient |
9.77±0.40(Predicted) |
|---|---|
Boiling Point |
326.5±42.0 °C at 760 mmHg |
Density |
1.3±0.1 g/cm3 |
Exact Mass |
208.073563 |
Flash Point |
126.9±21.4 °C |
Index of Refraction |
1.554 |
LogP |
1.25 |
Molecular Formula |
C11H12O4 |
Molecular Weight |
208.211 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.7 mmHg at 25°C |
Safety Information of 1000414-38-9
Applications of 1000414-38-9
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate has potential applications in:
- Pharmaceuticals: As a precursor or active ingredient in drug formulations due to its biological activities.
- Organic Synthesis: Utilized as an intermediate in the synthesis of more complex organic molecules.
- Cosmetics: May serve as an antioxidant agent in cosmetic formulations.
These applications underscore its significance in multiple industries.
Interaction Studies of 1000414-38-9
Interaction studies involving (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate focus on its binding affinity with various biological targets. These studies are crucial for understanding its pharmacodynamics and potential therapeutic uses:
- Protein Binding Studies: Investigating how well the compound binds to specific proteins can provide insights into its mechanism of action.
- Cell Line Studies: Evaluating its effects on different cell lines helps assess cytotoxicity and therapeutic efficacy.
Such studies are essential for advancing knowledge on how this compound interacts at the molecular level.
Biological Activity of 1000414-38-9
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate exhibits notable biological activities. Preliminary studies suggest it may possess antioxidant properties, contributing to the protection against oxidative stress. Additionally, compounds with similar structures have shown potential anti-inflammatory and anticancer activities, suggesting that this compound may also have therapeutic implications in these areas.
Physical sample testing spectrum (NMR) of 1000414-38-9
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