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CS-W001157 4
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Methyl 3-fluoro-4-iodobenzoate

  • CAS No. 1027513-46-7

  • Cat. No. CS-0131364
  • Purity≥97%
  • MDL No.MFCD09800728

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

Methyl 3-fluoro-4-iodobenzoate|CS-0131364

Structure of 1027513-46-7

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General Information

  • CAS No. 1027513-46-7
  • Cat. No. CS-0131364
  • Purity ≥97%
  • MDL No. MFCD09800728
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FIO₂
  • Molecular Weight 280.03
  • Synonym(s) Methyl3-fluoro-4-iodobenzoate
  • SMILES O=C(OC)C1=CC=C(I)C(F)=C1

Description

Methyl 3-fluoro-4-iodobenzoate features a fluorinated aryl core paired with a strategically positioned iodine handle, enabling efficient cross-coupling reactions. The electron-withdrawing fluorine enhances reactivity in palladium-catalyzed transformations, while the ester group offers synthetic versatility. This bench-stable reagent integrates seamlessly into complex molecule assembly workflows.

Application

Methyl 3-fluoro-4-iodobenzoate serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient C–C bond formation via palladium-catalyzed Suzuki, Stille, or Negishi processes. The ortho-fluoro and para-iodo substituents provide orthogonal reactivity for sequential functionalization, while the methyl ester group offers stability and ease of purification. Its bench-stable nature and compatibility with standard synthetic workflows make it well-suited for medicinal chemistry and materials synthesis.

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 : H319
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   26.3
  • LogP   2.2169
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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