Cas no 1261903-90-5 (3-(3,5-Difluorophenyl)-5-methoxybenzoic acid)

3-(3,5-Difluorophenyl)-5-methoxybenzoic acid is a fluorinated aromatic carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a difluorophenyl group and a methoxy-substituted benzoic acid moiety, offering unique electronic and steric properties for molecular design. The presence of fluorine atoms enhances metabolic stability and bioavailability, making it a valuable intermediate in drug discovery. The methoxy group further contributes to solubility and reactivity modulation. This compound is particularly useful in the synthesis of bioactive molecules, where precise control over lipophilicity and binding interactions is required. Its high purity and well-defined structure ensure reliable performance in synthetic applications.
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid structure
1261903-90-5 structure
Product Name:3-(3,5-Difluorophenyl)-5-methoxybenzoic acid
CAS No:1261903-90-5
MF:C14H10F2O3
MW:264.224211215973
MDL:MFCD18319991
CID:1039130
PubChem ID:53225905
Update Time:2025-10-29

3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid
    • 3-(3,5-difluorophenyl)-5-methoxybenzoic acid
    • ACMC-209b43
    • AK-96288
    • ANW-18673
    • CTK8A9696
    • KB-234222
    • MolPort-015-153-159
    • BS-20152
    • DTXSID00689637
    • 3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylicacid
    • 1261903-90-5
    • CS-0209703
    • 3',5'-Difluoro-5-methoxy[1,1'-biphenyl]-3-carboxylic acid
    • [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-methoxy-
    • MFCD18319991
    • 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid
    • MDL: MFCD18319991
    • Inchi: 1S/C14H10F2O3/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7H,1H3,(H,17,18)
    • InChI Key: ZWSJZDJCJQRNJV-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C1C=C(C=C(C(=O)O)C=1)OC)F

Computed Properties

  • Exact Mass: 264.05980050g/mol
  • Monoisotopic Mass: 264.05980050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 314
  • 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: 3.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 412.5±45.0 °C at 760 mmHg
  • Flash Point: 203.3±28.7 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Security Information

3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Pricemore >>

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Additional information on 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid

Introduction to 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid (CAS No. 1261903-90-5)

3-(3,5-Difluorophenyl)-5-methoxybenzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261903-90-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This benzoic acid derivative features a unique structural motif characterized by the presence of both fluorine substituents and a methoxy group, which endows it with distinct chemical properties and potential biological activities. The compound’s molecular structure consists of a benzene ring substituted at the 3-position with a 3,5-difluorophenyl group and at the 5-position with a methoxy group, making it a versatile scaffold for further chemical modifications and functionalization.

The synthesis of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid typically involves multi-step organic reactions, often starting from commercially available precursors such as 3,5-difluorobenzaldehyde and 4-methoxybenzoic acid. The introduction of fluorine atoms at the 3 and 5 positions enhances the compound’s lipophilicity and metabolic stability, while the methoxy group contributes to its solubility and interaction with biological targets. These structural features make it an attractive candidate for drug discovery programs targeting various therapeutic areas.

In recent years, there has been growing interest in exploring the pharmacological potential of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid and its derivatives. Preliminary studies have suggested that this compound exhibits promising biological activities, including anti-inflammatory, antioxidant, and anticancer properties. The fluorinated aromatic ring is known to enhance binding affinity to certain enzymes and receptors, while the methoxy group can modulate metabolic pathways. These characteristics have prompted researchers to investigate its role in modulating inflammatory responses and inhibiting the proliferation of cancer cells.

One of the most compelling aspects of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid is its potential as a lead compound for developing novel therapeutic agents. Its structural framework allows for further derivatization to optimize pharmacokinetic profiles and target specificity. For instance, modifications at the carboxylic acid or aromatic positions could enhance solubility or improve oral bioavailability. Additionally, computational modeling studies have been employed to predict how structural variations might influence binding interactions with biological targets, providing a rational basis for designing more effective derivatives.

The compound’s relevance in medicinal chemistry is further underscored by its incorporation into several ongoing research projects aimed at addressing unmet medical needs. Researchers are leveraging its unique scaffold to develop inhibitors targeting enzymes involved in pain signaling, neurodegenerative diseases, and metabolic disorders. The presence of both fluorine and methoxy groups offers a balance between lipophilicity and polarizability, which is often critical for achieving high affinity binding to protein targets.

From a synthetic chemistry perspective, 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid serves as an excellent intermediate for constructing more complex molecules. Its benzoic acid core can be further functionalized through esterification, amidation, or coupling reactions to introduce additional pharmacophores. This flexibility makes it a valuable building block in drug discovery pipelines where rapid access to structurally diverse libraries is essential.

The chemical properties of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid, such as its stability under various conditions and compatibility with standard purification techniques, also contribute to its practicality in laboratory settings. These attributes ensure that researchers can reliably synthesize and handle the compound without compromising its integrity during experimental procedures.

In conclusion, 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid (CAS No.1261903-90-5) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and promising biological activities. Its role as a lead compound in drug discovery underscores its importance in addressing contemporary challenges in medicine. As research continues to uncover new therapeutic applications for this compound and its derivatives, 1261903-90-5 will undoubtedly remain a cornerstone in the development of innovative treatments across multiple disease areas.

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