Cas no 1261599-72-7 (5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester)

5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester is a biphenyl derivative featuring a nitro group at the 5-position and a trifluoromethyl substituent at the 4'-position of the biphenyl scaffold, with an ethyl ester functional group at the carboxylic acid moiety. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its structural motifs, which are commonly utilized in the development of bioactive molecules. The presence of the electron-withdrawing nitro and trifluoromethyl groups enhances its reactivity in electrophilic and nucleophilic substitution reactions, making it a valuable intermediate for further functionalization. Its ethyl ester group also provides stability and solubility in organic solvents, facilitating handling in laboratory applications.
5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester structure
1261599-72-7 structure
Product Name:5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester
CAS No:1261599-72-7
MF:C16H12F3NO4
MW:339.265995025635
CID:4790248
Update Time:2025-05-22

5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester
    • Inchi: 1S/C16H12F3NO4/c1-2-24-15(21)13-8-7-12(20(22)23)9-14(13)10-3-5-11(6-4-10)16(17,18)19/h3-9H,2H2,1H3
    • InChI Key: ONZPMJBKKYKKJR-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)C1C=C(C=CC=1C(=O)OCC)[N+](=O)[O-])(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 455
  • XLogP3: 4.5
  • Topological Polar Surface Area: 72.1

5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011006104-250mg
5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester
1261599-72-7 97%
250mg
$504.00 2023-09-03
Alichem
A011006104-500mg
5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester
1261599-72-7 97%
500mg
$815.00 2023-09-03
Alichem
A011006104-1g
5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester
1261599-72-7 97%
1g
$1490.00 2023-09-03

5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester Related Literature

Additional information on 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester

Research Brief on 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester (CAS: 1261599-72-7)

The compound 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester (CAS: 1261599-72-7) has recently garnered attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug discovery and development. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential therapeutic applications.

Recent studies have highlighted the significance of 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester as a key intermediate in the synthesis of novel bioactive molecules. The presence of both nitro and trifluoromethyl groups in its structure enhances its reactivity and makes it a valuable building block for the development of pharmaceuticals targeting various diseases, including cancer and infectious diseases.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers explored the compound's role as a precursor in the synthesis of kinase inhibitors. The study demonstrated that derivatives of 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester exhibited potent inhibitory activity against specific tyrosine kinases, which are implicated in cancer progression. The findings suggest that this compound could serve as a scaffold for designing next-generation kinase inhibitors with improved selectivity and efficacy.

Another notable research effort, documented in Bioorganic & Medicinal Chemistry Letters, investigated the antimicrobial properties of 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester derivatives. The study revealed that certain modifications to the ester moiety resulted in compounds with significant activity against drug-resistant bacterial strains. This underscores the compound's potential in addressing the growing challenge of antibiotic resistance.

From a synthetic chemistry perspective, advancements have been made in optimizing the production of 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester. A 2022 paper in Organic Process Research & Development detailed a scalable and cost-effective synthetic route, emphasizing green chemistry principles. The improved methodology not only enhances yield but also reduces environmental impact, aligning with the pharmaceutical industry's sustainability goals.

In conclusion, 5-Nitro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid ethyl ester (CAS: 1261599-72-7) represents a versatile and promising compound in chemical biology and drug development. Its applications span from kinase inhibition to antimicrobial activity, and ongoing research continues to uncover its full potential. Future studies are expected to explore its utility in other therapeutic areas and further refine its synthetic pathways for industrial-scale production.

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