Cas no 1261948-83-7 (3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid)

3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid is a fluorinated benzoic acid derivative featuring a dimethoxyphenyl substituent, which enhances its electronic and steric properties. The trifluoromethyl group contributes to increased lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical research. This compound is particularly useful as an intermediate in the synthesis of more complex molecules, where its structural motifs can influence binding affinity and selectivity. Its well-defined aromatic framework allows for precise modifications, facilitating applications in drug discovery and material science. The presence of electron-donating methoxy groups further diversifies its reactivity, enabling tailored functionalization for specific synthetic pathways.
3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid structure
1261948-83-7 structure
Product Name:3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261948-83-7
MF:C16H13F3O4
MW:326.267235517502
MDL:MFCD18321341
CID:2621577
PubChem ID:53227226
Update Time:2025-05-25

3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • MFCD18321341
    • 2',4'-Dimethoxy-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
    • 3-(2,4-DIMETHOXYPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • 1261948-83-7
    • DTXSID90690813
    • 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid, 95%
    • 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid
    • MDL: MFCD18321341
    • Inchi: 1S/C16H13F3O4/c1-22-12-3-4-13(14(8-12)23-2)9-5-10(15(20)21)7-11(6-9)16(17,18)19/h3-8H,1-2H3,(H,20,21)
    • InChI Key: WZBSYKHJLPGYSI-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(C(=O)O)=CC(=C1)C1C=CC(=CC=1OC)OC)(F)F

Computed Properties

  • Exact Mass: 326.07659338Da
  • Monoisotopic Mass: 326.07659338Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 413
  • 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: 3.9
  • Topological Polar Surface Area: 55.8?2

3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328561-5 g
3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid, 95%; .
1261948-83-7 95%
5g
€1159.00 2023-04-26
abcr
AB328561-5g
3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid, 95%; .
1261948-83-7 95%
5g
€1159.00 2024-06-08

Additional information on 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid

Comprehensive Overview of 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid (CAS No. 1261948-83-7)

3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid (CAS No. 1261948-83-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound features a trifluoromethyl group and dimethoxyphenyl moiety, which are critical for its bioactivity and stability. Researchers are increasingly exploring its potential as a building block for drug discovery, particularly in the development of small-molecule inhibitors and anti-inflammatory agents.

The growing interest in fluorinated compounds like 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid stems from their enhanced metabolic stability and lipophilicity, which are essential for improving drug bioavailability. Recent studies highlight its role in modulating enzyme activity and receptor binding, making it a valuable candidate for targeting diseases such as cancer and autoimmune disorders. Additionally, its electron-withdrawing properties due to the trifluoromethyl group contribute to its reactivity in synthetic chemistry applications.

In the context of green chemistry and sustainable synthesis, CAS No. 1261948-83-7 has been investigated for its compatibility with eco-friendly catalytic systems. The demand for environmentally benign processes has driven innovations in its production, reducing reliance on hazardous reagents. This aligns with the broader industry shift toward sustainable pharmaceutical manufacturing, a topic frequently searched by professionals in the field.

Another area of interest is the compound's potential in agrochemical formulations. The dimethoxyphenyl and trifluoromethyl groups are known to enhance pesticidal activity, prompting research into its use as a crop protection agent. With the global focus on food security and reduced pesticide residues, this application has become a hot topic among agricultural chemists.

From a commercial perspective, 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid is available through specialized chemical suppliers, often listed under its CAS number 1261948-83-7. Its pricing and purity levels (e.g., >98%) are frequently queried in procurement databases, reflecting its niche but growing market. Analytical techniques such as HPLC and NMR are commonly employed to verify its quality, ensuring compliance with industry standards.

In summary, 3-(2,4-Dimethoxyphenyl)-5-trifluoromethylbenzoic acid represents a versatile compound with applications spanning drug development, sustainable chemistry, and agrochemical innovation. Its structural features and functional groups continue to inspire research, addressing pressing challenges in modern science. As interest in fluorinated aromatic compounds grows, this compound is poised to remain a focal point in both academic and industrial settings.

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