Cas no 1261928-10-2 (3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid)

3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a methoxycarbonyl substituent, offering versatile reactivity in synthetic organic chemistry. Its structure combines a benzoic acid core with a meta-fluoro and meta-ester functionalized phenyl group, making it a valuable intermediate for pharmaceutical and agrochemical applications. The fluorine atom enhances metabolic stability and binding affinity, while the methoxycarbonyl group provides a handle for further derivatization. This compound is particularly useful in cross-coupling reactions, ester hydrolysis, and as a building block for bioactive molecules. Its well-defined purity and consistent performance ensure reliable results in research and industrial synthesis.
3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid structure
1261928-10-2 structure
Product Name:3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid
CAS No:1261928-10-2
MF:C15H11FO4
MW:274.243848085403
MDL:MFCD18312698
CID:2764060
PubChem ID:53218424
Update Time:2025-10-20

3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID30683365
    • MFCD18312698
    • 1261928-10-2
    • 3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid, 95%
    • 3-(3-FLUORO-5-METHOXYCARBONYLPHENYL)BENZOIC ACID
    • 3'-Fluoro-5'-(methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid
    • A1-68088
    • 3'-Fluoro-5'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid
    • 3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid
    • MDL: MFCD18312698
    • Inchi: 1S/C15H11FO4/c1-20-15(19)12-6-11(7-13(16)8-12)9-3-2-4-10(5-9)14(17)18/h2-8H,1H3,(H,17,18)
    • InChI Key: JNMPNKJELDJYEK-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)OC)C=C(C=1)C1C=CC=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 274.06413699Da
  • Monoisotopic Mass: 274.06413699Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 371
  • 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
  • Topological Polar Surface Area: 63.6?2

3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB318518-5 g
3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid, 95%; .
1261928-10-2 95%
5g
€1,159.00 2022-06-11
abcr
AB318518-5g
3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid, 95%; .
1261928-10-2 95%
5g
€1159.00 2024-04-20

3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid Related Literature

Additional information on 3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid

Comprehensive Overview of 3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid (CAS No. 1261928-10-2)

3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid (CAS No. 1261928-10-2) is a fluorinated aromatic carboxylic acid derivative with significant applications in pharmaceutical and material science research. This compound, characterized by its methoxycarbonyl and benzoic acid functional groups, has garnered attention for its unique chemical properties and potential in drug discovery. Researchers often explore its role as an intermediate in synthesizing bioactive molecules, particularly those targeting G-protein-coupled receptors (GPCRs) and enzyme inhibitors.

The structural features of CAS No. 1261928-10-2 include a fluoro-substituted phenyl ring and a carboxylic acid moiety, which enhance its reactivity and binding affinity. These attributes make it valuable for designing small-molecule probes in chemical biology. Recent studies highlight its utility in developing fluorescence-based sensors and metal-organic frameworks (MOFs), aligning with the growing demand for advanced functional materials.

In the context of trending topics, 3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid intersects with searches for "fluorinated building blocks" and "sustainable synthetic routes." Environmental concerns have driven interest in green chemistry approaches for its production, such as catalytic fluorination and solvent-free reactions. Additionally, its potential in PET imaging (positron emission tomography) has been explored, addressing the need for novel radiotracers in medical diagnostics.

From an SEO perspective, common queries like "CAS 1261928-10-2 supplier" or "3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid synthesis" reflect commercial and academic demand. The compound’s purity specifications (e.g., HPLC ≥98%) and storage conditions (e.g., -20°C under inert atmosphere) are frequently searched, underscoring its sensitivity to moisture and light. Suppliers often emphasize custom synthesis services to meet diverse research needs.

Emerging applications of 1261928-10-2 include its use in covalent organic frameworks (COFs) for gas storage and photocatalysis. Its electron-withdrawing fluorine group improves thermal stability, a critical factor for high-performance materials. Discussions in forums like ResearchGate and PubChem highlight its role in structure-activity relationship (SAR) studies, particularly for optimizing drug candidates’ pharmacokinetics.

Regulatory compliance is another hotspot, with researchers seeking "REACH compliance for fluorinated compounds." While 3-(3-Fluoro-5-methoxycarbonylphenyl)benzoic acid is not classified as hazardous, proper risk assessments are recommended due to its reactive functional groups. Safety data sheets (SDS) often cite precautions like glove handling and ventilation during lab use.

In summary, CAS No. 1261928-10-2 represents a versatile scaffold bridging medicinal chemistry and materials science. Its alignment with trends like precision medicine and nanotechnology ensures sustained relevance. Future research may focus on scalable synthesis and bioconjugation techniques, further expanding its utility across disciplines.

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