Cas no 1261772-47-7 (2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester)

2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester is a fluorinated biphenyl derivative with significant utility in pharmaceutical and agrochemical research. Its structure, featuring both fluorine and trifluoromethyl substituents, enhances metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery. The methyl ester group provides a convenient handle for further functionalization, such as hydrolysis or transesterification. This compound is particularly useful in the synthesis of bioactive molecules, where its electron-withdrawing groups can influence binding affinity and selectivity. High purity and well-defined synthetic pathways ensure reproducibility in research applications. Its stability under standard laboratory conditions further supports its use in complex organic transformations.
2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester structure
1261772-47-7 structure
Product Name:2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester
CAS No:1261772-47-7
MF:C15H10F4O2
MW:298.232318401337
CID:4790779
Update Time:2025-10-29

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

Names and Identifiers

    • 2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester
    • Inchi: 1S/C15H10F4O2/c1-21-14(20)12-4-2-3-11(13(12)16)9-5-7-10(8-6-9)15(17,18)19/h2-8H,1H3
    • InChI Key: BZKXQEBAOPRYHN-UHFFFAOYSA-N
    • SMILES: FC1C(C(=O)OC)=CC=CC=1C1C=CC(C(F)(F)F)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 361
  • XLogP3: 4.4
  • Topological Polar Surface Area: 26.3

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011010984-250mg
2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester
1261772-47-7 97%
250mg
489.60 USD 2021-05-31
Alichem
A011010984-500mg
2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester
1261772-47-7 97%
500mg
806.85 USD 2021-05-31
Alichem
A011010984-1g
2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester
1261772-47-7 97%
1g
1,579.40 USD 2021-05-31

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

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

The compound 2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester (CAS No: 1261772-47-7) is a highly specialized organic molecule with significant applications in the field of organic synthesis and materials science. This compound belongs to the class of biphenyl derivatives, which are widely studied due to their unique electronic properties and structural versatility. The molecule features a biphenyl core, with a fluoro substituent at the 2-position and a trifluoromethyl group at the 4'-position, along with a carboxylic acid methyl ester group at the 3-position.

The synthesis of 2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester involves a series of carefully designed organic reactions, including nucleophilic aromatic substitution, Friedel-Crafts alkylation, and esterification processes. Recent advancements in catalytic methodologies have enabled more efficient and selective pathways for the construction of such complex molecules, making them more accessible for research and industrial applications.

One of the most notable applications of this compound is in the development of advanced materials, particularly in the field of optoelectronics. The presence of electron-withdrawing groups such as fluoro and trifluoromethyl substituents significantly influences the electronic properties of the biphenyl system, making it suitable for use in organic light-emitting diodes (OLEDs) and other electronic devices. Recent studies have demonstrated that biphenyl derivatives with tailored substituents can exhibit enhanced charge transport properties, which are critical for improving device performance.

In addition to its role in materials science, 2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester has also been explored as a potential intermediate in drug discovery. The carboxylic acid methyl ester group provides a versatile functional handle for further chemical modifications, enabling the synthesis of bioactive compounds with specific pharmacological profiles. Researchers have reported that such derivatives can exhibit promising activity against various biological targets, including enzymes and receptors involved in disease pathways.

The structural uniqueness of this compound also makes it an attractive candidate for studying chemical reactivity under different conditions. For instance, recent investigations into its reactivity under photochemical conditions have revealed novel reaction pathways that could lead to the formation of previously unreported organic structures. These findings underscore the importance of studying such compounds in advancing our understanding of fundamental chemical principles.

From an environmental perspective, the stability and biodegradation characteristics of 2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester are areas of growing interest. As industries increasingly prioritize sustainability, understanding the environmental fate of such compounds is crucial for developing eco-friendly synthetic strategies and disposal methods.

In conclusion, 2-Fluoro-4'-(trifluoromethyl)biphenyl-3-carboxylic acid methyl ester (CAS No: 1261772-47-7) is a multifaceted organic compound with diverse applications across various scientific disciplines. Its unique structure, combined with advancements in synthetic methodologies and material science, positions it as a key player in both academic research and industrial innovation.

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