Cas no 676348-31-5 (3',4'-Dimethoxybiphenyl-3-carboxylic acid)

3',4'-Dimethoxybiphenyl-3-carboxylic acid is a biphenyl derivative featuring methoxy substituents at the 3' and 4' positions and a carboxylic acid functional group at the 3-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Its rigid biphenyl core and electron-donating methoxy groups enhance its utility in cross-coupling reactions and as a building block for complex molecular architectures. The carboxylic acid moiety allows for further functionalization, enabling derivatization into esters, amides, or other derivatives. Its well-defined structure and purity make it suitable for research and industrial applications requiring precise chemical modifications.
3',4'-Dimethoxybiphenyl-3-carboxylic acid structure
676348-31-5 structure
Product Name:3',4'-Dimethoxybiphenyl-3-carboxylic acid
CAS No:676348-31-5
MF:C15H14O4
MW:258.269264698029
MDL:MFCD03424611
CID:518533
PubChem ID:2758409
Update Time:2025-06-13

3',4'-Dimethoxybiphenyl-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3',4'-Dimethoxy-[1,1'-biphenyl]-3-carboxylic acid
    • [1,1'-Biphenyl]-3-carboxylicacid, 3',4'-dimethoxy-
    • 3',4'-DIMETHOXY-BIPHENYL-3-CARBOXYLIC ACID
    • 3',4'-DIMETHOXYBIPHENYL-3-CARBOXYLIC ACID
    • 3,4-DIMETHOXYBIPHENYL-3-CARBOXYLIC ACID
    • 3-(3,4-dimethoxyphenyl)benzoic acid
    • 3',4'-dimethoxy[1,1'-biphenyl]-3-carboxylic acid
    • 676348-31-5
    • 3',4'-Dimethoxy-[1,1'-biphenyl]-3-carboxylicacid
    • BCB34831
    • DTXSID40374313
    • AKOS010253736
    • FS-6025
    • CS-0213394
    • A835833
    • FT-0644831
    • SCHEMBL5151529
    • DB-021919
    • G64190
    • 3',4'-Dimethoxybiphenyl-3-carboxylic acid
    • MDL： MFCD03424611
    • Inchi： 1S/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)
    • InChI Key： ZDBOLXDKLAYRRK-UHFFFAOYSA-N
    • SMILES： O(C)C1=C(C=CC(=C1)C1C=CC=C(C(=O)O)C=1)OC

Computed Properties

  • Exact Mass: 258.08900
  • Monoisotopic Mass: 258.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 305
  • 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: 55.8A^2
  • XLogP3: 3

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 434°C at 760 mmHg
  • Flash Point: 163.6°C
  • PSA: 55.76000
  • LogP: 3.06900
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

3',4'-Dimethoxybiphenyl-3-carboxylic acid Security Information

3',4'-Dimethoxybiphenyl-3-carboxylic acid Customs Data

  • HS CODE：2922299090
  • Customs Data：

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3',4'-Dimethoxybiphenyl-3-carboxylic acid Pricemore >>

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3',4'-Dimethoxybiphenyl-3-carboxylic acid Related Literature

Related Categories

Additional information on 3',4'-Dimethoxybiphenyl-3-carboxylic acid

Recent Advances in the Study of 3',4'-Dimethoxybiphenyl-3-carboxylic Acid (CAS: 676348-31-5)

3',4'-Dimethoxybiphenyl-3-carboxylic acid (CAS: 676348-31-5) is a biphenyl derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential therapeutic applications. Recent studies have explored its role as a key intermediate in the synthesis of bioactive compounds, particularly those targeting inflammatory and neoplastic diseases. This research brief aims to summarize the latest findings related to this compound, focusing on its synthesis, biological activity, and potential applications in drug development.

One of the most notable advancements in the study of 3',4'-Dimethoxybiphenyl-3-carboxylic acid is its application in the synthesis of novel anti-inflammatory agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound exhibit potent inhibitory effects on cyclooxygenase-2 (COX-2), an enzyme implicated in inflammatory processes. The study utilized molecular docking simulations and in vitro assays to validate the compound's binding affinity and selectivity, suggesting its potential as a scaffold for developing next-generation anti-inflammatory drugs.

In addition to its anti-inflammatory properties, recent research has highlighted the compound's role in cancer therapeutics. A team of researchers from the University of Cambridge reported in Bioorganic & Medicinal Chemistry Letters that 3',4'-Dimethoxybiphenyl-3-carboxylic acid derivatives exhibit promising cytotoxic activity against several cancer cell lines, including breast and lung adenocarcinoma. The study employed high-throughput screening and structure-activity relationship (SAR) analysis to identify key structural modifications that enhance efficacy while minimizing off-target effects.

The synthetic pathways for 3',4'-Dimethoxybiphenyl-3-carboxylic acid have also been refined in recent years. A 2022 publication in Organic Process Research & Development detailed a scalable and cost-effective method for its production, utilizing palladium-catalyzed cross-coupling reactions. This advancement addresses previous challenges related to yield and purity, making the compound more accessible for large-scale pharmaceutical applications.

Despite these promising developments, challenges remain in optimizing the pharmacokinetic and pharmacodynamic profiles of 3',4'-Dimethoxybiphenyl-3-carboxylic acid derivatives. Future research directions may include in vivo studies to assess bioavailability and toxicity, as well as further exploration of its mechanism of action at the molecular level. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate the translation of these findings into clinical applications.

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