499625

Methyl 3-bromobenzoate

98%

• Linear Formula: BrC₆H₄CO₂CH₃
• CAS Number: 618-89-3
• Molecular Weight: 215.04
• EC Number: 210-569-9
• MDL number: MFCD00017777
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873294
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• bp: 127-128 °C/15 mmHg (lit.)
• mp: 31-33 °C (lit.)
• functional group: bromo; ester
• SMILES string: COC(=O)c1cccc(Br)c1
• InChI: 1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
• InChI key: KMFJVYMFCAIRAN-UHFFFAOYSA-N

Description

General description

Methyl 3-bromobenzoate is an aryl bromide. It undergoes stereoconvergent cross-coupling with potassium trifluoro(1-phenylethyl)borate to form 1,1-diarylethane derivative. The Negishi cross-coupling reaction between methyl 3-bromobenzoate and diarylzinc reagents in the presence of a palladium catalyst has been reported. Methyl-3-bromobenzoate can be converted into the corresponding benzonitrile using dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium as a C-C cross-coupling catalyst and K₄[Fe(CN)₆] as a cyanating agent.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves