Cas no 1261916-03-3 (2-(2,3-difluorophenyl)phenol)

2-(2,3-Difluorophenyl)phenol is a fluorinated phenolic compound characterized by its unique aromatic structure, featuring both phenyl and difluorophenyl substituents. This structural configuration imparts distinct electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. The presence of fluorine atoms enhances its lipophilicity and metabolic stability, which can be advantageous in drug design. Its reactivity allows for selective functionalization, enabling precise modifications for targeted applications. The compound's high purity and well-defined chemical properties ensure consistent performance in research and industrial processes. Suitable for use under controlled conditions, it requires proper handling due to its phenolic nature.
2-(2,3-difluorophenyl)phenol structure
2-(2,3-difluorophenyl)phenol structure
Product Name:2-(2,3-difluorophenyl)phenol
CAS No:1261916-03-3
MF:C12H8F2O
MW:206.188130378723
MDL:MFCD18312826
CID:1223050
PubChem ID:53218541
Update Time:2025-06-09

2-(2,3-difluorophenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 2-(2,3-difluorophenyl)phenol
    • AKOS017558270
    • 2-(2,3-Difluorophenyl)phenol, 95%
    • DTXSID70683465
    • SCHEMBL6367917
    • 1261916-03-3
    • MFCD18312826
    • 2',3'-Difluoro[1,1'-biphenyl]-2-ol
    • MDL: MFCD18312826
    • Inchi: 1S/C12H8F2O/c13-10-6-3-5-9(12(10)14)8-4-1-2-7-11(8)15/h1-7,15H
    • InChI Key: SGWIHYDRSIHGTL-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CC=1C1C=CC=CC=1O)F

Computed Properties

  • Exact Mass: 206.05432120g/mol
  • Monoisotopic Mass: 206.05432120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 210
  • 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: 3.4
  • Topological Polar Surface Area: 20.2?2

2-(2,3-difluorophenyl)phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB318742-5 g
2-(2,3-Difluorophenyl)phenol, 95%; .
1261916-03-3 95%
5g
€1,159.00 2022-08-31
abcr
AB318742-5g
2-(2,3-Difluorophenyl)phenol, 95%; .
1261916-03-3 95%
5g
€1159.00 2024-04-20

Additional information on 2-(2,3-difluorophenyl)phenol

Introduction to 2-(2,3-difluorophenyl)phenol (CAS No. 1261916-03-3)

2-(2,3-difluorophenyl)phenol, identified by the Chemical Abstracts Service Number (CAS No.) 1261916-03-3, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to a class of molecules characterized by the presence of fluorine atoms at specific positions on the phenyl ring, which can modulate its electronic properties, metabolic stability, and biological activity. The structural motif of 2-(2,3-difluorophenyl)phenol consists of two phenyl rings connected by a hydroxyl-substituted carbon atom, with fluorine atoms located at the 2 and 3 positions of one of the rings. This unique arrangement imparts distinct chemical and pharmacological properties that make it a valuable scaffold for drug discovery and development.

The significance of fluorinated aromatic compounds in modern medicine cannot be overstated. Fluorine atoms, being electronegative elements, can influence the lipophilicity, binding affinity, and metabolic half-life of pharmaceuticals. In particular, the introduction of fluorine at the 2 and 3 positions in a phenyl ring has been shown to enhance the bioavailability and resistance to degradation by metabolic enzymes. This phenomenon is particularly relevant in the context of 2-(2,3-difluorophenyl)phenol, where the dual fluorination at these positions may contribute to its stability and efficacy as a potential therapeutic agent.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the biological activity of compounds like 2-(2,3-difluorophenyl)phenol with greater accuracy. These tools have been instrumental in identifying novel pharmacophores and optimizing molecular structures for improved drug-like properties. For instance, studies have demonstrated that fluorinated aromatic compounds can act as potent inhibitors of various enzymes and receptors involved in disease pathways. The structural features of 2-(2,3-difluorophenyl)phenol make it a promising candidate for further investigation in this regard.

In addition to its potential as a standalone therapeutic agent, 2-(2,3-difluorophenyl)phenol may also serve as a key intermediate in the synthesis of more complex molecules. The presence of both hydroxyl and fluoro substituents provides multiple sites for functionalization, allowing chemists to tailor its properties for specific applications. For example, derivatization of this compound could yield novel analogs with enhanced binding affinity or selectivity for particular biological targets. Such modifications are critical in drug development pipelines where subtle changes in molecular structure can significantly impact therapeutic efficacy.

The pharmacological profile of 2-(2,3-difluorophenyl)phenol is an area of active research. Preliminary studies suggest that this compound may exhibit inhibitory effects on certain enzymes or receptors relevant to neurological disorders, inflammation, and cancer. The fluorinated phenyl ring is known to interact favorably with biological targets due to its ability to mimic hydrogen bonding interactions while maintaining lipophilicity. This dual functionality makes it an attractive scaffold for designing molecules with improved pharmacokinetic profiles.

One particularly intriguing aspect of 2-(2,3-difluorophenyl)phenol is its potential role as a prodrug or precursor molecule. By leveraging enzymatic or chemical transformations, this compound could be converted into more active species within vivo environments. Such strategies are increasingly employed in drug development to enhance bioavailability or target specificity. The versatility of 2-(2,3-difluorophenyl)phenol as a synthetic intermediate makes it a valuable asset in medicinal chemistry libraries.

The synthesis of 2-(2,3-difluorophenyl)phenol involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies have been developed to achieve high yields and purity levels necessary for pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and fluorochemical transformations are commonly employed in its preparation. These methods highlight the importance of modern synthetic chemistry in enabling access to complex molecular architectures like that of 2-(2,3-difluorophenyl)phenol.

The safety profile and toxicological evaluation of 2-(2,3-difluorophenyl)phenol are critical considerations before its clinical translation. While preliminary studies suggest that this compound exhibits reasonable metabolic stability and low toxicity in cell-based assays, further investigations are needed to assess its safety profile in animal models and human subjects. Comprehensive toxicological studies will provide insights into potential side effects or adverse reactions associated with its use.

In conclusion,(cas no1261916-03-3) has emerged as a promising candidate in pharmaceutical research due to its unique structural features and potential biological activities. The combination of computational modeling tools,(keyword:fluorinated aromatic compounds)and advanced synthetic methodologies continues to drive innovation in drug discovery efforts involving this molecule. As research progresses,(keyword:pharmacological profile) will likely uncover new therapeutic applications for (keyword:prodrug) intermediates like(keyword:cas no1261916-03-3) . The ongoing exploration into(keyword:medicinal biology) underscores the importance of such compounds in addressing unmet medical needs.

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