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CS-W001157 4
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Methyl 2-(3-bromophenyl)propanoate

  • CAS No. 80622-53-3

  • Cat. No. CS-0094506
  • Purity≥97%
  • MDL No.MFCD18908974

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

Methyl 2-(3-bromophenyl)propanoate|CS-0094506

Structure of 80622-53-3

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General Information

  • CAS No. 80622-53-3
  • Cat. No. CS-0094506
  • Purity ≥97%
  • MDL No. MFCD18908974
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO₂
  • Molecular Weight 243.10
  • Synonym(s) None
  • SMILES O=C(OC)C(C)C1=CC=CC(Br)=C1

Description

Methyl 2-(3-bromophenyl)propanoate is a brominated aromatic ester featuring a chiral α-methyl group. This bench-stable compound integrates readily into asymmetric synthesis, serving as a key building block for pharmaceutical intermediates and functional materials. The para-brominated phenyl moiety enhances reactivity in transition-metal-catalyzed couplings.

Application

Methyl 2-(3-bromophenyl)propanoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its pendant bromide and ester functionalities. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis of biaryl scaffolds and complex pharmaceutical intermediates. Its ortho-brominated aryl group provides predictable reactivity in Suzuki, Stille, and Negishi couplings, supporting efficient route development in medicinal chemistry and process R&D.

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7256
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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