Cas no 1214367-91-5 (4-(2-fluorophenyl)-3-methoxybenzoic Acid)

4-(2-Fluorophenyl)-3-methoxybenzoic acid is a fluorinated aromatic carboxylic acid derivative characterized by its methoxy and fluorophenyl substituents. This compound is of interest in pharmaceutical and agrochemical research due to its structural features, which may influence bioactivity and binding interactions. The fluorine atom enhances metabolic stability and lipophilicity, while the methoxy group can modulate electronic and steric properties. Its benzoic acid core provides a functional handle for further derivatization, making it a versatile intermediate in synthetic chemistry. The compound is typically used in the development of small-molecule inhibitors, receptor ligands, and other bioactive agents, where precise substitution patterns are critical for efficacy.
4-(2-fluorophenyl)-3-methoxybenzoic Acid structure
1214367-91-5 structure
Product Name:4-(2-fluorophenyl)-3-methoxybenzoic Acid
CAS No:1214367-91-5
MF:C14H11FO3
MW:246.233747720718
MDL:MFCD14699841
CID:1216660
PubChem ID:46312927
Update Time:2025-06-07

4-(2-fluorophenyl)-3-methoxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-fluorophenyl)-3-methoxybenzoic Acid
    • 1214367-91-5
    • A1-18669
    • 2'-Fluoro-2-methoxybiphenyl-4-carboxylic acid
    • MFCD14699841
    • 2'-Fluoro-2-methoxy[1,1'-biphenyl]-4-carboxylic acid
    • DTXSID20673396
    • MDL: MFCD14699841
    • Inchi: 1S/C14H11FO3/c1-18-13-8-9(14(16)17)6-7-11(13)10-4-2-3-5-12(10)15/h2-8H,1H3,(H,16,17)
    • InChI Key: XAIUNMGVXWUXOZ-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C1C=CC(C(=O)O)=CC=1OC

Computed Properties

  • Exact Mass: 246.069
  • Monoisotopic Mass: 246.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 363.0±32.0 °C at 760 mmHg
  • Flash Point: 173.3±25.1 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4-(2-fluorophenyl)-3-methoxybenzoic Acid Security Information

4-(2-fluorophenyl)-3-methoxybenzoic Acid Pricemore >>

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Additional information on 4-(2-fluorophenyl)-3-methoxybenzoic Acid

4-(2-Fluorophenyl)-3-methoxybenzoic Acid: An Overview of a Promising Compound (CAS No. 1214367-91-5)

4-(2-Fluorophenyl)-3-methoxybenzoic Acid (CAS No. 1214367-91-5) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown potential in various applications, including as an intermediate in the synthesis of pharmaceuticals and as a ligand in biological studies.

The molecular structure of 4-(2-Fluorophenyl)-3-methoxybenzoic Acid consists of a benzoic acid core substituted with a 2-fluorophenyl group and a methoxy group at the 3-position. The presence of these functional groups imparts distinct chemical and biological properties to the molecule, making it an intriguing candidate for further investigation.

Recent studies have highlighted the importance of fluorinated compounds in drug discovery and development. The introduction of fluorine atoms can significantly alter the physicochemical properties of a molecule, such as its lipophilicity, metabolic stability, and binding affinity to target proteins. In the case of 4-(2-Fluorophenyl)-3-methoxybenzoic Acid, the fluorine atom at the 2-position of the phenyl ring enhances its lipophilicity, which can improve its ability to cross biological membranes and reach its intended target.

The methoxy group at the 3-position of the benzoic acid core also plays a crucial role in modulating the compound's biological activity. Methoxy groups are known to increase the electron density on adjacent aromatic rings, which can enhance the compound's binding affinity to specific receptors or enzymes. This property makes 4-(2-Fluorophenyl)-3-methoxybenzoic Acid a valuable starting point for the design and synthesis of more potent and selective bioactive molecules.

In terms of synthetic accessibility, 4-(2-Fluorophenyl)-3-methoxybenzoic Acid can be prepared through various well-established synthetic routes. One common approach involves the reaction of 3-methoxybenzoyl chloride with 2-fluorophenol in the presence of a base such as potassium carbonate. This method yields high purity and good yields, making it suitable for large-scale production.

Beyond its use as an intermediate in pharmaceutical synthesis, 4-(2-Fluorophenyl)-3-methoxybenzoic Acid has shown promise in preclinical studies as a potential therapeutic agent. Research has demonstrated its ability to inhibit specific enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory drug candidate. Additionally, preliminary studies have explored its anticancer properties, with some evidence indicating that it can induce apoptosis in cancer cells while sparing normal cells.

The pharmacokinetic properties of 4-(2-Fluorophenyl)-3-methoxybenzoic Acid have also been investigated. Studies have shown that it exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles, which are essential for ensuring that a drug candidate reaches its target site effectively and remains active for an appropriate duration. These properties make it an attractive candidate for further development into clinical trials.

In conclusion, 4-(2-Fluorophenyl)-3-methoxybenzoic Acid (CAS No. 1214367-91-5) is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique structural features and favorable biological properties position it as a valuable tool for advancing our understanding of disease mechanisms and developing new therapeutic strategies. Ongoing research continues to uncover new insights into its potential uses, making it an exciting area of study for scientists and researchers alike.

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