Cas no 1261918-51-7 (Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate)

Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate is a fluorinated aromatic ester with a hydroxyl-substituted biphenyl structure, offering unique reactivity and selectivity in synthetic chemistry applications. Its bifunctional design, featuring both fluoro and hydroxyl groups, enhances its utility as an intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing fluorine atoms improve stability and influence regioselectivity in cross-coupling reactions, while the hydroxyl group provides a handle for further derivatization. This compound is particularly valuable in the development of bioactive molecules, where fluorinated aromatic motifs are sought for their metabolic stability and binding affinity. High purity and well-defined structural features ensure consistent performance in demanding synthetic workflows.
Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate structure
1261918-51-7 structure
Product Name:Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate
CAS No:1261918-51-7
MF:C14H10F2O3
MW:264.224211215973
MDL:MFCD18313974
CID:1223057
PubChem ID:53219651
Update Time:2025-06-10

Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate
    • 2-Fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)phenol, 95%
    • 1261918-51-7
    • 2-FLUORO-5-(2-FLUORO-5-METHOXYCARBONYLPHENYL)PHENOL
    • DTXSID50684475
    • Methyl 4',6-difluoro-3'-hydroxy[1,1'-biphenyl]-3-carboxylate
    • MFCD18313974
    • MDL: MFCD18313974
    • Inchi: 1S/C14H10F2O3/c1-19-14(18)9-3-4-11(15)10(6-9)8-2-5-12(16)13(17)7-8/h2-7,17H,1H3
    • InChI Key: IGHBMTIYCKBIHY-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C(=O)OC)C=C1C1C=CC(=C(C=1)O)F

Computed Properties

  • Exact Mass: 264.05980050g/mol
  • Monoisotopic Mass: 264.05980050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 324
  • 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: 3.2
  • Topological Polar Surface Area: 46.5?2

Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB320011-5 g
2-Fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)phenol, 95%; .
1261918-51-7 95%
5g
€1159.00 2023-04-26
abcr
AB320011-5g
2-Fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)phenol, 95%; .
1261918-51-7 95%
5g
€1159.00 2025-04-21

Additional information on Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate

Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate (CAS No. 1261918-51-7): A Comprehensive Overview

Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate, identified by the CAS number 1261918-51-7, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal research. This molecule, characterized by its fluoro and hydroxyl substituents, has garnered attention due to its potential applications in the development of novel therapeutic agents. The structural features of this compound contribute to its unique chemical properties, making it a valuable candidate for further investigation in drug discovery and molecular biology.

The presence of fluoro groups in the molecule enhances its metabolic stability and bioavailability, which are critical factors in pharmaceutical design. The hydroxyl moiety, on the other hand, introduces a polar functional group that can interact with biological targets, potentially modulating enzyme activity or receptor binding. These features make Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate a promising scaffold for the synthesis of next-generation drugs.

Recent studies have highlighted the importance of fluorinated aromatic compounds in medicinal chemistry. The introduction of fluorine atoms into organic molecules often leads to improved pharmacokinetic profiles, including increased lipophilicity and reduced susceptibility to metabolic degradation. In particular, the 4-fluoro substituent in Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate has been shown to enhance binding affinity to certain biological targets, making it an attractive modification for drug development.

The benzoate core of this compound provides a rigid aromatic system that can be further functionalized to achieve specific pharmacological effects. The combination of fluoro and hydroxyl groups creates a molecule with multiple interaction points, allowing for precise tuning of its biological activity. This versatility makes Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate a versatile tool for researchers exploring new therapeutic strategies.

In the context of current research, Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate has been investigated for its potential role in addressing various diseases. For instance, studies have suggested that fluoro-substituted benzoates may exhibit anti-inflammatory and anti-cancer properties. The hydroxyl group, in particular, has been implicated in modulating oxidative stress and inflammation, which are key mechanisms underlying many pathological conditions.

The synthesis of Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and fluorination methods, are often employed to introduce the desired functional groups efficiently. These synthetic strategies not only highlight the compound's complexity but also underscore the advancements in synthetic organic chemistry that enable the production of such intricate molecules.

The pharmacological evaluation of Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate has revealed several promising characteristics. In vitro studies have demonstrated its ability to interact with various biological targets, including enzymes and receptors involved in signal transduction pathways. These interactions may lead to therapeutic effects such as pain relief, neuroprotection, and anti-tumor activity. Further preclinical studies are warranted to fully elucidate its potential applications in human health.

The structural diversity offered by Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate also makes it a valuable building block for drug discovery libraries. By modifying different parts of the molecule, researchers can generate a wide range of derivatives with tailored properties. This approach allows for rapid screening and identification of lead compounds that can be optimized further through structure-activity relationship (SAR) studies.

The growing interest in fluorinated compounds underscores their importance in modern medicine. The unique electronic properties of fluorine atoms enable the design of molecules with enhanced binding affinity and selectivity. As such, Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate represents a significant advancement in the field, offering new opportunities for therapeutic intervention.

In conclusion, Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate (CAS No. 1261918-51-7) is a multifaceted compound with considerable potential in pharmaceutical research. Its structural features, combined with recent findings from ongoing studies, position it as a key candidate for further development into novel therapeutic agents. As research continues to uncover new applications for fluorinated benzoates, compounds like Methyl 4-fluoro-3-(4-fluoro-3-hydroxyphenyl)benzoate will undoubtedly play a crucial role in advancing medical science.

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