Ethyl 1-benzothiophene-2-carboxylate

Basic Information

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CAS Number

17890-55-0

Molecular Formula

C11H10O2S

Molecular Weight

206.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCOC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3

InChIKey

PSLMIXGNCNQQRY-UHFFFAOYSA-N

LogP

3.078000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

217

Synonyms & References

English

AS-41893
FT-0739811
AKOS005216472
Benzo[b]thiophene-2-carboxylic acid, ethyl ester
ethyl benzothiophen-2-carboxylate
Ethyl Benzo[b]thiophene-2-carboxylate
CS-0206798
17890-55-0
MFCD00116430
A812404
Ethyl Benzothiophene-2-carboxylate
PSLMIXGNCNQQRY-UHFFFAOYSA-N
SCHEMBL4405770
benzo[b]thiophene-2-carboxylic acid ethyl ester
CHEMBL1093035
ethyl 1-benzothiophene-2-carboxylate
DTXSID30447242
Benzo[b]thiophene-2-carboxylicacid, ethyl ester
ETHYL BENZO[B]THIOPHENE-2-CARBOXYLATE
Ethylbenzothiophene-2-carboxylate
RARECHEM AL BI 0483

MDL Number

MFCD00116430

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0)?

Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0) is a crystalline compound with a molecular weight of approximately 204.24 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. This compound is known for its reactivity in ester chemistry and can undergo hydrolysis under acidic conditions. It has a melting point of around 76-77°C.

How is Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0) typically synthesized?

Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0) is typically synthesized via the reaction of 1-benzothiophene-2-carboxylic acid with ethyl bromide in the presence of a suitable base like potassium carbonate. The process usually involves heating the mixture to drive the reaction to completion, followed by work-up steps such as extraction and purification.

What industries use Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0)?

Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0) is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis. It is also utilized in the preparation of polymers and as a component in sensors and semiconductors. Its applications are primarily in research and development due to its unique chemical properties.

What precautions should be taken when handling Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0)?

When handling Ethyl 1-benzothiophene-2-carboxylate (CAS: 17890-55-0), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound should be stored in a cool, dry place away from sources of ignition. In case of a spill, it should be carefully cleaned up with appropriate waste disposal measures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.