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Methyl 5-bromo-4-fluoro-2-methoxybenzoate

  • CAS No. 314298-22-1

  • Cat. No. CS-0102008
  • Purity≥97%
  • MDL No.MFCD16036943

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

Methyl 5-bromo-4-fluoro-2-methoxybenzoate|CS-0102008

Structure of 314298-22-1

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General Information

  • CAS No. 314298-22-1
  • Cat. No. CS-0102008
  • Purity ≥97%
  • MDL No. MFCD16036943
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrFO₃
  • Molecular Weight 263.06
  • Synonym(s) 5-BroMo-4-fluoro-2-Methoxy-benzoic acid Methyl ester
  • SMILES O=C(OC)C1=CC(Br)=C(F)C=C1OC

Description

Methyl 5-bromo-4-fluoro-2-methoxybenzoate features a trifunctional aromatic core with bromine, fluorine, and methoxy groups positioned for orthogonal reactivity. This electron-deficient ester integrates readily into cross-coupling cascades and serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized pharmaceutical scaffolds under standard conditions.

Application

Methyl 5-bromo-4-fluoro-2-methoxybenzoate serves as a versatile building block for the synthesis of functionalized aromatic systems. The ortho-difunctionalized benzene core enables sequential cross-coupling reactions, while the methyl ester and methoxy groups offer orthogonal reactivity. Bench-stable and compatible with palladium-catalyzed transformations, it facilitates efficient access to complex heterocycles and medicinally relevant scaffolds.

Synthesis

  • Route1

    References

    • Schering Corporation Patent: US2005/239795 A1, 2005 ; Location in patent: Page/Page column 30 ; US 20050239795 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

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.3834
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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