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CS-W001157 4
Total: USD 88.00

Methyl 5-bromo-2-methylbenzoate

  • CAS No. 79669-50-4

  • Cat. No. CS-W007619
  • Purity≥97%
  • MDL No.MFCD09839555

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

Methyl 5-bromo-2-methylbenzoate|CS-W007619

Structure of 79669-50-4

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General Information

  • CAS No. 79669-50-4
  • Cat. No. CS-W007619
  • Purity ≥97%
  • MDL No. MFCD09839555
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₂
  • Molecular Weight 229.07
  • Synonym(s) Methyl 5-Bromo-o-toluate
  • SMILES CC1=C(C(OC)=O)C=C(Br)C=C1

Description

A substrate used for the determination of D-glucosidase

Application

Methyl 5-bromo-2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromo group. The methyl ester functionality provides compatibility with standard hydrolysis and reduction protocols, while the ortho-methyl substituent offers steric and electronic modulation. This compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for iterative synthesis of complex aromatic scaffolds and pharmaceutical intermediates.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      5-Bromo-2-methylbenzoic acid|CS-W019672
      79669-49-1
    • ~96%
    • In-stock
      Methyl 5-bromo-2-methylbenzoate|CS-W007619
      79669-50-4

    References

    • ELI LILLY AND COMPANY Patent: WO2005/73205 A1, 2005 ; Location in patent: Page/Page column 27-28 ; WO 2005/073205 A1
  • Route2
    • In-stock
      5-Bromo-2-methylbenzoic acid|CS-W019672
      79669-49-1
    • null|null
      18107-18-1
    • ~96%
    • In-stock
      Methyl 5-bromo-2-methylbenzoate|CS-W007619
      79669-50-4

    References

    • KUDOS PHARMACEUTICALS LIMITED Patent: WO2008/23161 A1, 2008 ; Location in patent: Page/Page column 116 ; WO 2008/023161 A1
  • Route3

    References

    • ASTRAZENECA AB Patent: WO2005/100351 A1, 2005 ; Location in patent: Page/Page column 13; 16-17 ; WO 2005/100351 A1

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   2.54412
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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