Cas no 1214349-52-6 (3-(3-fluorophenyl)-2-methoxybenzoic Acid)

3-(3-Fluorophenyl)-2-methoxybenzoic acid is a fluorinated aromatic carboxylic acid derivative with a methoxy substituent at the ortho position relative to the carboxyl group. Its structural features, including the fluorine atom and methoxy group, contribute to its utility as an intermediate in pharmaceutical and agrochemical synthesis. The fluorine moiety enhances metabolic stability and binding affinity in target molecules, while the methoxy group can influence electronic and steric properties. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules, where its scaffold serves as a versatile building block. High purity and well-defined synthetic pathways ensure reproducibility in research and industrial applications.
3-(3-fluorophenyl)-2-methoxybenzoic Acid structure
1214349-52-6 structure
Product Name:3-(3-fluorophenyl)-2-methoxybenzoic Acid
CAS No:1214349-52-6
MF:C14H11FO3
MW:246.233747720718
MDL:MFCD14699833
CID:1216656
PubChem ID:46312917
Update Time:2025-10-19

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

Names and Identifiers

    • 3-(3-fluorophenyl)-2-methoxybenzoic Acid
    • DTXSID90673388
    • 3-(3-Fluorophenyl)-2-methoxybenzoic acid, 95%
    • 3'-Fluoro-2-methoxy[1,1'-biphenyl]-3-carboxylic acid
    • MFCD14699833
    • 1214349-52-6
    • MDL: MFCD14699833
    • Inchi: 1S/C14H11FO3/c1-18-13-11(6-3-7-12(13)14(16)17)9-4-2-5-10(15)8-9/h2-8H,1H3,(H,16,17)
    • InChI Key: COGSOGLGCQMAED-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1C=CC=C(C(=O)O)C=1OC

Computed Properties

  • Exact Mass: 246.06922237g/mol
  • Monoisotopic Mass: 246.06922237g/mol
  • 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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 46.5?2

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

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

Introduction to 3-(3-fluorophenyl)-2-methoxybenzoic Acid (CAS No. 1214349-52-6)

3-(3-fluorophenyl)-2-methoxybenzoic Acid, identified by its Chemical Abstracts Service (CAS) number 1214349-52-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural features that include a fluorine substituent at the 3-position of the phenyl ring and a methoxy group at the 2-position of the benzoic acid core. These structural attributes not only contribute to its distinct chemical properties but also open up diverse possibilities for its application in synthetic chemistry, medicinal chemistry, and material science.

The fluorine atom in 3-(3-fluorophenyl)-2-methoxybenzoic Acid plays a crucial role in modulating its pharmacokinetic and pharmacodynamic properties. Fluorine substitution is a well-documented strategy in drug design, often employed to enhance metabolic stability, improve binding affinity to biological targets, and modify lipophilicity. In this context, the presence of a fluorine substituent at the 3-position of the phenyl ring in 3-(3-fluorophenyl)-2-methoxybenzoic Acid is likely to influence its interactions with enzymes and receptors, potentially leading to enhanced bioavailability and prolonged half-life. This feature makes the compound an attractive candidate for further exploration in the development of novel therapeutic agents.

The methoxy group at the 2-position of the benzoic acid core in 3-(3-fluorophenyl)-2-methoxybenzoic Acid also contributes to its unique chemical profile. Methoxy groups are commonly found in natural products and pharmaceuticals, where they serve as bioisosteric replacements for hydroxyl groups or other functional groups. The methoxy group can influence electronic properties, solubility, and metabolic pathways, making it a valuable moiety in medicinal chemistry. The combination of a fluorine substituent and a methoxy group in this compound suggests that it may exhibit a range of interesting biological activities, which warrants further investigation.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the biological activity of compounds with high accuracy before conducting expensive wet-lab experiments. Studies have shown that benzoic acid derivatives can exhibit various pharmacological effects, including anti-inflammatory, analgesic, and antioxidant properties. Given the structural similarities between 3-(3-fluorophenyl)-2-methoxybenzoic Acid and known bioactive molecules, it is reasonable to hypothesize that this compound may possess similar or even enhanced biological activities. Computational studies have been instrumental in identifying potential binding modes of this compound with target proteins, providing insights into its mechanism of action.

In addition to its potential therapeutic applications, 3-(3-fluorophenyl)-2-methoxybenzoic Acid may find utility in other areas of research. For instance, its unique structure makes it a valuable intermediate in synthetic chemistry, allowing researchers to construct more complex molecules with tailored properties. The compound's ability to undergo various chemical transformations, such as esterification or amidation, makes it a versatile building block for designing novel organic compounds.

The synthesis of 3-(3-fluorophenyl)-2-methoxybenzoic Acid presents an interesting challenge for organic chemists due to its complex structure. However, recent developments in synthetic methodologies have made it possible to access such compounds more efficiently than ever before. Catalytic processes and green chemistry principles have been employed to optimize synthetic routes, reducing waste and improving yields. These advancements not only make the production of 3-(3-fluorophenyl)-2-methoxybenzoic Acid more sustainable but also open up new avenues for exploring its applications.

One particularly intriguing aspect of 3-(3-fluorophenyl)-2-methoxybenzoic Acid is its potential role as a scaffold for drug discovery. By modifying different parts of its structure, researchers can generate libraries of derivatives with varying biological activities. This approach has been successfully used in high-throughput screening campaigns to identify lead compounds for further development. The combination of computational screening with experimental validation has accelerated the discovery process significantly.

The chemical properties of 3-(3-fluorophenyl)-2-methoxybenzoic Acid, such as its solubility, stability, and reactivity, also make it an attractive candidate for industrial applications. For example, it could be used as a precursor in the production of specialty chemicals or as a component in advanced materials. Its ability to form stable complexes with metals or other small molecules suggests that it may have applications in catalysis or material science.

As research continues to uncover new applications for 3-(3-fluorophenyl)-2-methoxybenzoic Acid, it is likely that this compound will play an increasingly important role in both academic and industrial settings. The growing interest in fluorinated benzoic acid derivatives underscores their potential as versatile building blocks for drug discovery and material science applications. With further exploration and optimization, CAS No. 1214349-52-6 may lead to groundbreaking developments in various fields.

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