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CS-W001157 4
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Methyl 2-(2-bromophenyl)acetate

  • CAS No. 57486-69-8

  • Cat. No. CS-W004685
  • Purity≥98%
  • MDL No.MFCD07779430

*For research and further manufacturing use only, not for direct human use.

Methyl 2-(2-bromophenyl)acetate|CS-W004685

Structure of 57486-69-8

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General Information

  • CAS No. 57486-69-8
  • Cat. No. CS-W004685
  • Purity ≥98%
  • MDL No. MFCD07779430
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₂
  • Molecular Weight 229.07
  • Synonym(s) methyl (2-bromophenyl)acetate
  • SMILES O=C(OC)CC1=CC=CC=C1Br

Description

Methyl 2-(2-bromophenyl)acetate is a brominated aromatic ester featuring a pendant methyl ester group on a phenylacetic scaffold. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceuticals, where the ortho-bromo substituent enables efficient palladium-catalyzed cross-coupling reactions. The ester functionality provides a handle for selective transformations under mild conditions.

Application

Methyl 2-(2-bromophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to biaryl and heterocyclic scaffolds. Its ortho-bromo functionality facilitates palladium-catalyzed cross-coupling reactions, while the ester group supports subsequent transformations such as reduction, hydrolysis, or nucleophilic addition. The compound exhibits good bench stability and is readily purified by distillation or flash chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1646
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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