Methyl 5-bromo-1-benzofuran-2-carboxylate

Basic Information

View in Editor

CAS Number

26028-36-4

Molecular Formula

C10H7BrO3

Molecular Weight

255.07 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

COC(=O)c1cc2cc(Br)ccc2o1

InChI

InChI=1S/C10H7BrO3/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3

InChIKey

ZZDBMDNRQQDSKG-UHFFFAOYSA-N

LogP

2.9819000000000013

Topological Polar Surface Area

39.44 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

Methyl 5-bromobenzofuran-2-carboxylate
5-Bromobenzofuran-2-carboxylic Acid Methyl Ester
5-Bromo-benzofuran-2-carboxylic acid methyl ester
Methyl 5-bromo-1-benzofuran-2-carboxylate

MDL Number

MFCD02625603

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4)?

Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4) is a crystalline compound with a molecular weight of approximately 268.04 g/mol. It has low water solubility and is moderately soluble in organic solvents. This compound is known for its reactivity, particularly towards nucleophiles, and is used in synthesis due to its bromine substituent, which can be used for further functionalization.

How is Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4) typically synthesized?

Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4) is typically synthesized through the bromination of methyl 1-benzofuran-2-carboxylate using N-bromosuccinimide (NBS) in the presence of a radical initiator like azobisisobutyronitrile (AIBN). This method provides high selectivity and yield under suitable conditions.

What industries use Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4)?

Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4) is used in the pharmaceutical industry for the synthesis of certain therapeutic compounds, as well as in the polymer industry for the development of advanced polymers with specific properties. It also finds applications in the production of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4)?

When handling Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS: 26028-36-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Always work in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled according to standard safety protocols, and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.