Cas no 1261893-62-2 (2-(4-Carboxy-3-fluorophenyl)benzoic acid)

2-(4-Carboxy-3-fluorophenyl)benzoic acid is a fluorinated aromatic dicarboxylic acid derivative with applications in pharmaceutical and specialty chemical synthesis. Its bifunctional structure, featuring both a benzoic acid and a fluorinated carboxyphenyl moiety, makes it a versatile intermediate for constructing complex molecules, particularly in drug discovery and material science. The fluorine substitution enhances electronic properties, potentially improving binding affinity or stability in target compounds. The dual carboxyl groups allow for selective derivatization, enabling precise modifications. This compound is valued for its high purity and consistent reactivity, making it suitable for rigorous synthetic workflows. Proper handling and storage are recommended to maintain stability.
2-(4-Carboxy-3-fluorophenyl)benzoic acid structure
1261893-62-2 structure
Product Name:2-(4-Carboxy-3-fluorophenyl)benzoic acid
CAS No:1261893-62-2
MF:C14H9FO4
MW:260.217267751694
MDL:MFCD18312662
CID:1039230
Update Time:2025-06-12

2-(4-Carboxy-3-fluorophenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3'-Fluoro-[1,1'-biphenyl]-2,4'-dicarboxylic acid
    • 4-(2-carboxyphenyl)-2-fluorobenzoic acid
    • 2-(4-Carboxy-3-fluorophenyl)benzoic acid
    • MDL: MFCD18312662
    • Inchi: 1S/C14H9FO4/c15-12-7-8(5-6-11(12)14(18)19)9-3-1-2-4-10(9)13(16)17/h1-7H,(H,16,17)(H,18,19)
    • InChI Key: YNOGECZNEPCVQJ-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=O)O)C=CC(=C1)C1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 260.04800
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 74.60000
  • LogP: 2.88910

2-(4-Carboxy-3-fluorophenyl)benzoic acid Customs Data

  • HS CODE:2917399090
  • Customs Data:

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

2-(4-Carboxy-3-fluorophenyl)benzoic acid Pricemore >>

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Additional information on 2-(4-Carboxy-3-fluorophenyl)benzoic acid

Introduction to 2-(4-Carboxy-3-fluorophenyl)benzoic acid (CAS No. 1261893-62-2)

2-(4-Carboxy-3-fluorophenyl)benzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261893-62-2, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural features that include both carboxylic acid and fluorine substituents. The presence of these functional groups imparts distinct chemical properties, making it a valuable candidate for various applications in drug development and molecular biology.

The molecular structure of 2-(4-Carboxy-3-fluorophenyl)benzoic acid consists of a benzoic acid core substituted with a 4-carboxy-3-fluorophenyl group. This arrangement not only influences its solubility and reactivity but also enhances its potential as a building block for more complex molecules. In recent years, there has been a growing interest in such derivatives due to their role in modulating biological pathways and their potential therapeutic benefits.

One of the most compelling aspects of 2-(4-Carboxy-3-fluorophenyl)benzoic acid is its utility in the synthesis of pharmacologically active compounds. Researchers have leveraged its structural framework to develop novel agents targeting various diseases, including cancer, inflammation, and neurodegenerative disorders. The fluorine atom, in particular, plays a crucial role in enhancing the metabolic stability and binding affinity of drug candidates, making this compound an attractive intermediate in medicinal chemistry.

Recent studies have highlighted the importance of fluorinated benzoic acid derivatives in the development of small-molecule inhibitors. For instance, modifications to the 3-fluorophenyl group have been shown to improve the selectivity of enzyme inhibitors, reducing off-target effects and increasing therapeutic efficacy. This has led to several preclinical trials exploring the potential of compounds derived from 2-(4-Carboxy-3-fluorophenyl)benzoic acid as treatments for conditions such as chronic pain and autoimmune diseases.

The carboxylic acid moiety in 2-(4-Carboxy-3-fluorophenyl)benzoic acid also contributes to its versatility, allowing for further functionalization through esterification, amidation, or other chemical transformations. These modifications can tailor the compound’s properties for specific applications, such as prodrugs or targeted drug delivery systems. The ability to modify both the fluorine-substituted phenyl ring and the benzoic acid core provides chemists with a rich palette of options for designing next-generation therapeutics.

In addition to its pharmaceutical applications, 2-(4-Carboxy-3-fluorophenyl)benzoic acid has found utility in biochemical research. Its role as a substrate or inhibitor in enzymatic reactions has been explored in studies aimed at understanding metabolic pathways and enzyme mechanisms. The compound’s ability to interact with biological targets has made it a valuable tool for researchers seeking to elucidate the structure-activity relationships (SAR) of bioactive molecules.

The synthesis of 2-(4-Carboxy-3-fluorophenyl)benzoic acid typically involves multi-step organic reactions, starting from commercially available precursors such as 4-carboxyphenylboronic acid and 3-fluoroaniline. Advanced synthetic techniques, including palladium-catalyzed cross-coupling reactions, have been employed to construct the desired framework with high efficiency and yield. These synthetic strategies underscore the compound’s accessibility and readiness for further derivatization in research settings.

As research continues to uncover new therapeutic targets and mechanisms, the demand for specialized compounds like 2-(4-Carboxy-3-fluorophenyl)benzoic acid is expected to grow. Its unique combination of structural features makes it a promising candidate for addressing unmet medical needs across multiple therapeutic areas. Collaborative efforts between academia and industry are likely to drive innovation in this space, leading to novel treatments that benefit patients worldwide.

In conclusion,2-(4-Carboxy-3-fluorophenyl)benzoic acid (CAS No. 1261893-62-2) represents a significant advancement in pharmaceutical chemistry. Its structural versatility, combined with its potential applications in drug development and biochemical research, positions it as a cornerstone compound in modern medicinal chemistry. As scientists continue to explore its capabilities, this compound is poised to play an increasingly important role in shaping the future of healthcare.

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