Cas no 1261849-66-4 (4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester)

4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester is a fluorinated biphenyl derivative with significant utility in synthetic organic chemistry and pharmaceutical research. The compound features a trifluoromethyl group at the 3'-position and a fluorine substituent at the 4-position, enhancing its electronic and steric properties. The methyl ester moiety improves solubility and reactivity, making it a versatile intermediate for further functionalization. Its structural attributes are particularly valuable in the development of bioactive molecules, including agrochemicals and pharmaceuticals, where fluorinated aromatic systems are often employed to modulate metabolic stability and binding affinity. The compound's well-defined reactivity profile ensures consistent performance in cross-coupling and derivatization reactions.
4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester structure
1261849-66-4 structure
Product Name:4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester
CAS No:1261849-66-4
MF:C15H10F4O2
MW:298.232318401337
CID:4789737
Update Time:2025-11-01

4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester
    • Inchi: 1S/C15H10F4O2/c1-21-14(20)13-8-11(16)5-6-12(13)9-3-2-4-10(7-9)15(17,18)19/h2-8H,1H3
    • InChI Key: ZERFMRXPBZKNSD-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=CC(=C1)C1C=CC(=CC=1C(=O)OC)F)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 369
  • XLogP3: 4.4
  • Topological Polar Surface Area: 26.3

4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011001108-250mg
4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester
1261849-66-4 97%
250mg
475.20 USD 2021-05-28
Alichem
A011001108-500mg
4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester
1261849-66-4 97%
500mg
823.15 USD 2021-05-28
Alichem
A011001108-1g
4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester
1261849-66-4 97%
1g
1,504.90 USD 2021-05-28

Additional information on 4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester

4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester: A Comprehensive Overview

The compound with CAS No. 1261849-66-4, known as 4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester, is a highly specialized organic molecule that has garnered significant attention in the fields of pharmaceutical chemistry, materials science, and organic synthesis. This compound is characterized by its unique biphenyl structure, which incorporates a trifluoromethyl group and a fluoro substituent, along with a carboxylic acid methyl ester functional group. The combination of these features makes it a versatile building block for various applications.

Biphenyl carboxylic acid methyl esters are widely recognized for their ability to participate in diverse chemical reactions, including coupling reactions, nucleophilic substitutions, and cross-coupling processes. The presence of the trifluoromethyl group introduces electron-withdrawing effects, which can significantly influence the reactivity and selectivity of the molecule in synthetic transformations. Recent studies have demonstrated that such substituents can enhance the stability and bioavailability of pharmaceutical compounds, making this compound an attractive candidate for drug development.

One of the most notable aspects of 4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester is its potential in the synthesis of advanced materials. Researchers have explored its use in the preparation of high-performance polymers and organic semiconductors. The biphenyl backbone provides structural rigidity, while the trifluoromethyl group contributes to electronic modulation, enabling tailored properties for specific applications such as flexible electronics or optoelectronic devices.

In the realm of medicinal chemistry, this compound has been investigated as a precursor for bioactive molecules. Its ability to undergo various functional group transformations allows for the generation of diverse pharmacophores with potential therapeutic applications. For instance, derivatives of this compound have been studied for their anti-inflammatory, antiviral, and anticancer activities. Recent findings suggest that certain analogs exhibit selective inhibition against specific enzymes involved in disease pathways, highlighting its potential as a lead compound for drug discovery.

The synthesis of 4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester typically involves multi-step organic reactions, often employing palladium-catalyzed cross-coupling techniques such as Suzuki-Miyaura or Buchwald-Hartwig reactions. These methods enable precise control over the regiochemistry and stereochemistry of the product, ensuring high purity and consistency. Innovations in catalytic systems have further streamlined the synthesis process, making it more efficient and scalable for industrial applications.

From an environmental standpoint, researchers have also examined the biodegradation and ecological impact of this compound. Studies indicate that under specific conditions, it can undergo microbial degradation, reducing its persistence in natural ecosystems. This information is crucial for assessing its safety profile and ensuring sustainable practices in its production and use.

In conclusion, 4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid methyl ester stands out as a multifaceted compound with promising applications across various scientific domains. Its unique chemical structure, combined with advancements in synthetic methodologies and material science, positions it as a key player in future innovations. As research continues to uncover new possibilities for this compound, its role in driving progress in pharmaceuticals, materials science, and beyond will undoubtedly expand.

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