Cas no 1289266-50-7 (2-Fluoro-6-formylbenzoic acid)

2-Fluoro-6-formylbenzoic acid is a versatile aromatic compound featuring both a formyl (–CHO) and a carboxylic acid (–COOH) functional group, along with a fluorine substituent at the ortho position. This structure makes it a valuable intermediate in organic synthesis, particularly for constructing fluorinated heterocycles, pharmaceuticals, and agrochemicals. The presence of the electron-withdrawing fluorine atom enhances reactivity in electrophilic substitutions, while the aldehyde and carboxyl groups offer multiple sites for derivatization. Its high purity and stability under standard conditions ensure reliable performance in fine chemical applications. This compound is especially useful in medicinal chemistry for the development of bioactive molecules with improved metabolic stability.
2-Fluoro-6-formylbenzoic acid structure
2-Fluoro-6-formylbenzoic acid structure
Product Name:2-Fluoro-6-formylbenzoic acid
CAS No:1289266-50-7
MF:C8H5FO3
MW:168.121906042099
MDL:MFCD28357171
CID:4586422
PubChem ID:99769826
Update Time:2025-05-19

2-Fluoro-6-formylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-6-formylbenzoic acid
    • 2-Fluoro-6-formylbenzoicacid
    • D80402
    • A929681
    • SCHEMBL24861066
    • MFCD28357171
    • PS-11637
    • CS-0186646
    • EN300-199241
    • Z1982438545
    • 1289266-50-7
    • AKOS037655518
    • 2-Fluoro-6-formylbenzoic acid
    • MDL: MFCD28357171
    • Inchi: 1S/C8H5FO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4H,(H,11,12)
    • InChI Key: UUESLKYWZWGMBV-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(C=O)=C1C(=O)O

Computed Properties

  • Exact Mass: 168.02227218g/mol
  • Monoisotopic Mass: 168.02227218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 54.4

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Additional information on 2-Fluoro-6-formylbenzoic acid

Introduction to 2-Fluoro-6-formylbenzoic acid (CAS No: 1289266-50-7)

2-Fluoro-6-formylbenzoic acid, with the chemical identifier CAS No. 1289266-50-7, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoic acids, characterized by a benzene ring substituted with a formyl group at the sixth position and a fluorine atom at the second position. The unique structural features of this molecule make it a valuable intermediate in the synthesis of various pharmacologically active agents.

The fluorine atom in 2-Fluoro-6-formylbenzoic acid plays a crucial role in modulating the biological activity and pharmacokinetic properties of derivatives derived from this compound. Fluorine substitution is a well-documented strategy in drug design, often employed to enhance metabolic stability, binding affinity, and overall efficacy. The presence of the formyl group at the sixth position further contributes to its reactivity, allowing for further functionalization through condensation reactions, esterification, or amidation, thereby expanding its utility in synthetic chemistry.

In recent years, 2-Fluoro-6-formylbenzoic acid has been extensively studied for its potential applications in medicinal chemistry. One of the most promising areas of research involves its use as a precursor in the development of novel antimicrobial agents. The fluorinated aromatic core is particularly effective in disrupting bacterial cell wall synthesis and inhibiting key enzymatic pathways involved in bacterial metabolism. Preliminary studies have demonstrated that derivatives of this compound exhibit potent activity against Gram-positive and Gram-negative bacteria, including strains resistant to conventional antibiotics.

The formyl group present in 2-Fluoro-6-formylbenzoic acid serves as a versatile handle for further chemical modifications. For instance, it can be converted into an aldehyde or carboxylic acid derivative, which can then be used to synthesize complex molecules such as peptidomimetics or heterocyclic compounds. These modifications are particularly relevant in the design of protease inhibitors and kinase inhibitors, which are critical targets in oncology and inflammatory disease treatment.

Another emerging application of 2-Fluoro-6-formylbenzoic acid is in the field of neuropharmacology. Research indicates that fluorinated benzoic acids can interact with central nervous system receptors and enzymes, potentially leading to the development of new treatments for neurological disorders such as Alzheimer's disease and Parkinson's disease. The ability of this compound to cross the blood-brain barrier and exert targeted effects makes it an attractive candidate for further investigation.

The synthesis of 2-Fluoro-6-formylbenzoic acid typically involves multi-step organic reactions starting from commercially available fluorene derivatives or fluorobenzene precursors. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions and directed ortho-metalation strategies are often employed to achieve high yields and purity. The optimization of these synthetic routes is essential for large-scale production, ensuring that researchers have access to sufficient quantities of this valuable intermediate.

In conclusion, 2-Fluoro-6-formylbenzoic acid (CAS No: 1289266-50-7) represents a fascinating compound with diverse applications in pharmaceutical research. Its unique structural features, combined with its reactivity and biological potential, make it a cornerstone in the development of new drugs targeting various diseases. As research continues to uncover new derivatives and applications, this compound is poised to play an increasingly important role in modern medicinal chemistry.

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