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CS-W001157 4
Total: USD 88.00

(3-Bromophenyl)acetic acid methyl ester

  • CAS No. 150529-73-0

  • Cat. No. CS-W019829
  • Purity≥95%
  • MDL No.MFCD06858764

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

(3-Bromophenyl)acetic acid methyl ester|CS-W019829

Structure of 150529-73-0

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General Information

  • CAS No. 150529-73-0
  • Cat. No. CS-W019829
  • Purity ≥95%
  • MDL No. MFCD06858764
  • 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-(3-bromophenyl)acetate; Methyl 3-bromobenzeneacetate; Methyl 3-bromophenylacetate; Methyl m-bromophenylacetate; 3-Bromophenylacetic Acid Methyl Ester
  • SMILES O=C(OC)CC1=CC=CC(Br)=C1

Description

This methyl ester derivative of (3-bromophenyl)acetic acid features a brominated aromatic ring enabling direct functionalization in cross-coupling reactions. The ester group provides a handle for subsequent transformations, while the benzylic position remains accessible for derivatization. Bench-stable and compatible with standard synthetic protocols.

Application

(3-Bromophenyl)acetic acid methyl ester serves as a versatile building block for the synthesis of brominated aromatic intermediates. Its bromo substituent enables subsequent cross-coupling reactions, while the ester group facilitates selective transformations and purification. The compound exhibits good bench stability and functional group tolerance, making it suitable for use in standard Suzuki, Stille, or Negishi coupling protocols. It functions effectively in the construction of complex pharmaceutical scaffolds and heterocyclic systems.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Bromophenylacetic acid|CS-W004766
      1878-67-7
    • ~99%
    • In-stock
      (3-Bromophenyl)acetic acid methyl ester|CS-W019829
      150529-73-0

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1479681 A1, 2004 ; Location in patent: Page 111; 112 ;
  • Route2

    References

    • Dainippon Sumitomo Pharma Co., Ltd.; AstraZeneca AB Patent: EP1939202 A1, 2008 ; Location in patent: Page/Page column 41 ;
  • Route3
    • In-stock
      3-Bromophenylacetic acid|CS-W004766
      1878-67-7
    • null|null
      18107-18-1
    • ~83%
    • In-stock
      (3-Bromophenyl)acetic acid methyl ester|CS-W019829
      150529-73-0

    References

    • Bigge, Christopher Franklin; Bridges, Alexander James; Casimiro-Garcia, Agustin; Fakhoury, Stephen Alan; Lee, Helen Tsenwhei; Reed, Jessica; Schaum, Robert; Schlosser, Kevin Matthew; Sexton, Karen; Zhou, Hairong Patent: US2003/171377 A1, 2003 ;

Safety Information

Download SDS
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   2.1646
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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