Cas no 84532-72-9 (6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid)

6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid is a fluorinated naphthoic acid derivative characterized by its methoxy and trifluoromethyl substituents, which enhance its electronic and steric properties. This compound is primarily utilized as a key intermediate in pharmaceutical and agrochemical synthesis, where its unique structure contributes to improved reactivity and selectivity in coupling reactions. The trifluoromethyl group imparts increased lipophilicity and metabolic stability, making it valuable in the design of bioactive molecules. Its crystalline form ensures ease of handling and purification. The compound's well-defined chemical properties and compatibility with various reaction conditions make it a versatile building block for advanced organic synthesis.
6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid structure
84532-72-9 structure
Product Name:6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid
CAS No:84532-72-9
MF:C13H9F3O3
MW:270.203974485397
CID:727948
PubChem ID:13217301
Update Time:2025-05-24

6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid
    • 1-Naphthalenecarboxylic acid, 6-methoxy-5-(trifluoromethyl)-
    • 6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxylic acid
    • 6-methoxy-5-trifluoromethyl-1-naphthoic acid
    • O4CB3Z47OG
    • FT-0602770
    • 6-Methoxy-5-(trifluoromethyl)-1-naphthalenecarboxylic acid
    • MFCD07779501
    • UNII-O4CB3Z47OG
    • SCHEMBL7113675
    • DTXSID90233522
    • 6-Methoxy-5-(trifluoromethyl)-1-naphthoicacid
    • F84557
    • 1-Naphthalenecarboxylicacid, 6-methoxy-5-(trifluoromethyl)-
    • 84532-72-9
    • AEBBCDMWPOXGSG-UHFFFAOYSA-N
    • DB-007172
    • Inchi: 1S/C13H9F3O3/c1-19-10-6-5-7-8(11(10)13(14,15)16)3-2-4-9(7)12(17)18/h2-6H,1H3,(H,17,18)
    • InChI Key: AEBBCDMWPOXGSG-UHFFFAOYSA-N
    • SMILES: FC(C1C(=CC=C2C(C(=O)O)=CC=CC2=1)OC)(F)F

Computed Properties

  • Exact Mass: 270.05000
  • Monoisotopic Mass: 270.05037863g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 343
  • 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: 3.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 3.56540

6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid

Recent Advances in the Study of 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid (CAS: 84532-72-9)

6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid (CAS: 84532-72-9) is a naphthoic acid derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. Recent studies have explored its role as a key intermediate in the synthesis of bioactive compounds, particularly in the development of anti-inflammatory and anticancer agents. This research brief aims to summarize the latest findings related to this compound, highlighting its synthesis, biological activities, and potential applications in drug discovery.

The compound's chemical structure, characterized by a methoxy group at the 6-position and a trifluoromethyl group at the 5-position of the naphthalene ring, imparts distinct electronic and steric properties that influence its reactivity and interaction with biological targets. Recent synthetic methodologies have focused on optimizing the yield and purity of 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid, with advancements in catalytic processes and green chemistry approaches. These improvements have facilitated its broader use in medicinal chemistry and drug development.

In terms of biological activity, recent in vitro and in vivo studies have demonstrated that 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid exhibits promising anti-inflammatory effects by modulating key signaling pathways such as NF-κB and MAPK. Additionally, its potential as an anticancer agent has been explored, with evidence suggesting inhibitory effects on tumor cell proliferation and metastasis. These findings underscore the compound's versatility and its potential as a scaffold for the design of novel therapeutics.

Further research has also investigated the pharmacokinetic and toxicological profiles of 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid, providing insights into its bioavailability, metabolism, and safety. These studies are critical for advancing the compound into preclinical and clinical development stages. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate the translation of these discoveries into viable drug candidates.

In conclusion, 6-Methoxy-5-(trifluoromethyl)-1-naphthoic acid (CAS: 84532-72-9) represents a promising chemical entity with diverse applications in drug discovery and development. Ongoing research efforts are likely to uncover additional therapeutic potentials and optimize its synthetic and pharmacological properties. This brief serves as a timely update for researchers and industry professionals engaged in the exploration of naphthoic acid derivatives and their biomedical applications.

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