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CS-W001157 4
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Methyl 5-fluoro-2-formylbenzoate

  • CAS No. 1194374-71-4

  • Cat. No. CS-0102017
  • Purity≥97%
  • MDL No.MFCD11226921

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

Methyl 5-fluoro-2-formylbenzoate|CS-0102017

Structure of 1194374-71-4

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General Information

  • CAS No. 1194374-71-4
  • Cat. No. CS-0102017
  • Purity ≥97%
  • MDL No. MFCD11226921
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₃
  • Molecular Weight 182.15
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC(F)=CC=C1C=O

Description

Methyl 5-fluoro-2-formylbenzoate features a fluorinated aromatic ring paired with orthogonal formyl and ester functionalities, enabling direct incorporation into Suzuki-Miyaura couplings and nucleophilic addition sequences. The electron-deficient formyl group enhances reactivity toward amines and hydrides, while the methyl ester supports subsequent hydrolysis or derivatization under standard conditions. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized pharmaceutical scaffolds.

Application

Methyl 5-fluoro-2-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles and pharmaceutical intermediates. The ortho-formyl group facilitates nucleophilic addition and condensation reactions, while the meta-fluorine supports directed metalation and cross-coupling processes. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

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   43.37
  • LogP   1.4248
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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