structure of Methyl 3-fluorothiophene-2-carboxylate

Methyl 3-fluorothiophene-2-carboxylate

CAS No.: 100421-52-1
M. Wt: 160.166
M. Fa: C6H5FO2S
InChI Key: UKIUEFZYSXIGPY-UHFFFAOYSA-N
Appearance: Off white solid

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

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

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

Physical sample testing spectrum (NMR) of Methyl 3-fluorothiophene-2-carboxylate

Retrosynthesis analysis of Methyl 3-fluorothiophene-2-carboxylate

  • Route#1

    Cas:22288-78-4
    Cas:100421-52-1