Cas no 1261952-95-7 (2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid)

2-(2-Fluoro-4-methoxyphenyl)-6-methylbenzoic acid is a fluorinated aromatic carboxylic acid derivative with a methoxy substituent, offering unique reactivity and structural properties for synthetic applications. Its fluorine and methoxy functional groups enhance electronic effects, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The methyl group at the 6-position contributes to steric and electronic modulation, improving selectivity in coupling reactions. This compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined structure allows for precise incorporation into complex molecules, particularly in the development of bioactive compounds. Suitable for research and industrial use, it serves as a versatile building block in organic and medicinal chemistry.
2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid structure
1261952-95-7 structure
Product Name:2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid
CAS No:1261952-95-7
MF:C15H13FO3
MW:260.260328054428
MDL:MFCD18320576
CID:1223279
PubChem ID:53226478
Update Time:2025-05-19

2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid
    • 2-(2-Fluoro-4-methoxyphenyl)-6-methylbenzoic acid, 95%
    • DTXSID50690096
    • 1261952-95-7
    • 2'-Fluoro-4'-methoxy-3-methyl[1,1'-biphenyl]-2-carboxylic acid
    • MFCD18320576
    • MDL: MFCD18320576
    • Inchi: 1S/C15H13FO3/c1-9-4-3-5-12(14(9)15(17)18)11-7-6-10(19-2)8-13(11)16/h3-8H,1-2H3,(H,17,18)
    • InChI Key: TYIIHCKUKPEZDE-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C1C=CC=C(C)C=1C(=O)O)OC

Computed Properties

  • Exact Mass: 260.08487243g/mol
  • Monoisotopic Mass: 260.08487243g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 321
  • 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: 3.5
  • Topological Polar Surface Area: 46.5?2

2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327756-5 g
2-(2-Fluoro-4-methoxyphenyl)-6-methylbenzoic acid, 95%; .
1261952-95-7 95%
5g
€1159.00 2023-04-26
abcr
AB327756-5g
2-(2-Fluoro-4-methoxyphenyl)-6-methylbenzoic acid, 95%; .
1261952-95-7 95%
5g
€1159.00 2025-04-21

Additional information on 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid

Introduction to 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid (CAS No. 1261952-95-7)

2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid, identified by its Chemical Abstracts Service (CAS) number 1261952-95-7, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This benzoic acid derivative features a unique structural configuration, incorporating both fluoro and methoxy substituents, which contribute to its distinct chemical properties and potential biological activities. The compound's molecular structure, characterized by a phenyl ring substituted at the 2-position with a fluorine atom and at the 4-position with a methoxy group, along with a methyl group at the 6-position of the benzoic acid core, makes it a subject of interest for synthetic chemists and medicinal researchers.

The synthesis of 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. The introduction of the fluoro group at the 2-position of the phenyl ring is particularly noteworthy, as fluorine atoms are known to modulate the electronic properties of aromatic systems, influencing both metabolic stability and binding affinity to biological targets. Similarly, the methoxy group at the 4-position enhances lipophilicity while maintaining metabolic tolerance, making this compound an attractive candidate for further exploration in drug discovery.

In recent years, there has been growing interest in fluorinated aromatic compounds due to their prevalence in active pharmaceutical ingredients (APIs) across various therapeutic categories. The presence of fluorine in 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid not only improves pharmacokinetic properties but also contributes to its potential role as an intermediate in the synthesis of more complex molecules. Researchers have leveraged its structural features to develop novel scaffolds with enhanced efficacy and reduced side effects in preclinical models.

One of the most compelling aspects of 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid is its versatility in medicinal chemistry applications. The compound's benzoic acid core is a well-established pharmacophore found in numerous drugs, including nonsteroidal anti-inflammatory agents (NSAIDs) and anticonvulsants. By modifying this core with fluoro and methoxy groups, chemists can fine-tune its interactions with biological targets, such as enzymes and receptors. This approach has led to several promising candidates entering clinical trials for conditions ranging from pain management to neurodegenerative disorders.

Recent studies have highlighted the potential of fluorinated benzoic acids as inhibitors of cyclooxygenase (COX) enzymes, which play a crucial role in inflammation pathways. The structural motif present in 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid mimics natural substrates of COX enzymes while introducing modifications that enhance binding affinity. Preliminary computational studies suggest that the fluoro group at the 2-position facilitates optimal positioning within the enzyme's active site, potentially leading to more potent inhibition compared to non-fluorinated analogs.

The impact of fluorine substitution on metabolic stability has also been extensively studied. In drug development, maintaining metabolic stability is critical to ensure prolonged half-life and bioavailability. The electron-withdrawing nature of fluorine can influence reaction rates at adjacent positions, making it possible to design molecules that resist rapid degradation by liver enzymes such as cytochrome P450 (CYP450). This characteristic is particularly valuable for 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid, as it may contribute to improved pharmacokinetic profiles when incorporated into larger drug molecules.

Beyond its applications in drug discovery, 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid has shown promise as a key intermediate in materials science research. Fluorinated aromatic compounds are widely used in liquid crystals, organic electronics, and advanced polymers due to their thermal stability and unique electronic properties. The structural rigidity provided by the benzoic acid backbone combined with the electron-deficient nature of fluorine makes this compound a candidate for developing novel functional materials with applications in optoelectronics and nanotechnology.

The synthesis and characterization of 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid have been refined through advances in synthetic methodologies, including transition-metal-catalyzed cross-coupling reactions and asymmetric synthesis techniques. These innovations have enabled researchers to produce complex fluorinated derivatives with high enantiomeric purity, which is essential for evaluating their biological activity without interference from racemic impurities. Such progress underscores the importance of well-defined intermediates like this benzoic acid derivative in modern chemical synthesis.

As research continues to uncover new therapeutic targets and synthetic strategies, compounds like 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoic Acid are expected to play an increasingly pivotal role in pharmaceutical development pipelines. Their unique structural features offer opportunities for innovation across multiple disciplines, from small molecule drug design to advanced material engineering. By leveraging cutting-edge synthetic techniques and computational modeling, scientists are poised to unlock even greater potential from these versatile chemical entities.

In conclusion,CAS No. 1261952-95-7, corresponding to 2-(2-fluoro-4-methoxyphenyl)-6-methylbenzoicAcid, stands as a testament to the ingenuity of modern organic chemistry. Its combination of structural complexity and functional diversity makes it a valuable asset for researchers striving to develop next-generation therapeutics and materials. As scientific understanding evolves,this compound will undoubtedly continue to inspire new discoveries,driving progress across academia,industry,and beyond.

Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent