Methyl 3-fluorothiophene-2-carboxylate
Names and Identifiers of Methyl 3-fluorothiophene-2-carboxylate
CAS Number |
100421-52-1 |
|---|---|
MDL Number |
MFCD16606491 |
IUPAC Name |
methyl 3-fluorothiophene-2-carboxylate |
InChI |
InChI=1S/C6H5FO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3 |
InChIKey |
UKIUEFZYSXIGPY-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)C1=C(C=CS1)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 3-fluorothiophene-2-carboxylate
Boiling Point |
216.8±25.0 °C at 760 mmHg |
|---|---|
Density |
1.3±0.1 g/cm3 |
Exact Mass |
159.999435 |
Flash Point |
84.9±23.2 °C |
Index of Refraction |
1.514 |
LogP |
1.55 |
Melting Point |
51-53ºC |
Molecular Formula |
C6H5FO2S |
Molecular Weight |
160.166 |
PSA |
54.54000 |
Solubility |
soluble in Methanol |
Storage condition |
Keep in dark place,Inert atmosphere,2-8°C |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Safety Information of Methyl 3-fluorothiophene-2-carboxylate
Applications of Methyl 3-fluorothiophene-2-carboxylate
Methyl 3-fluorothiophene-2-carboxylate has diverse applications in:
- Organic Synthesis: It serves as a key intermediate in synthesizing various organic compounds, including pharmaceuticals and agrochemicals.
- Fluorination Reactions: Its role as a fluorinating agent allows for the incorporation of fluorine into other molecules, enhancing their properties.
- Material Science: Potential applications in developing new materials with specific electronic or optical properties are under exploration.
Interaction Studies of Methyl 3-fluorothiophene-2-carboxylate
Interaction studies involving methyl 3-fluorothiophene-2-carboxylate primarily focus on its reactivity with other chemical species. These studies often assess how this compound interacts with nucleophiles and electrophiles during various synthetic processes. Understanding these interactions is crucial for optimizing reaction conditions and yields in synthetic pathways involving this compound.
Biological Activity of Methyl 3-fluorothiophene-2-carboxylate
While specific biological activity data for methyl 3-fluorothiophene-2-carboxylate is limited, compounds containing fluorinated thiophenes often exhibit interesting biological properties. Fluorinated compounds can enhance metabolic stability and bioavailability, making them relevant in pharmaceutical chemistry. Research indicates that similar compounds may have anti-inflammatory and anticancer activities, although direct studies on this specific compound are still needed.
Physical sample testing spectrum (NMR) of Methyl 3-fluorothiophene-2-carboxylate
