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CS-W001157 4
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5-Fluoro-2-iodobenzoic acid methyl ester

  • CAS No. 1202897-48-0

  • Cat. No. CS-0032319
  • Purity≥97%
  • MDL No.MFCD12965043

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

5-Fluoro-2-iodobenzoic acid methyl ester|CS-0032319

Structure of 1202897-48-0

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General Information

  • CAS No. 1202897-48-0
  • Cat. No. CS-0032319
  • Purity ≥97%
  • MDL No. MFCD12965043
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FIO₂
  • Molecular Weight 280.03
  • Synonym(s) Methyl 5-fluoro-2-iodobenzoate
  • SMILES COC(C1=C(I)C=CC(F)=C1)=O

Description

5-Fluoro-2-iodobenzoic acid methyl ester features a strategically positioned fluorine atom and iodine substituent on the aromatic ring, enabling selective cross-coupling reactions. The methyl ester group enhances solubility and reactivity in transition metal-catalyzed transformations. This compound serves as a key intermediate for synthesizing bioactive molecules in medicinal chemistry and materials science.

Application

5-Fluoro-2-iodobenzoic acid methyl ester serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The iodine moiety facilitates reliable Suzuki, Stille, and Negishi couplings, while the fluorinated benzene core enhances metabolic stability in downstream applications. Bench-stable and readily purified by flash chromatography, it functions effectively in medicinal chemistry and materials synthesis workflows.

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   2.2169
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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