Cas no 1261896-41-6 (3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid)
3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- MFCD18312745
- 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid, 95%
- 1261896-41-6
- DTXSID10683409
- 2'-Methoxy-5'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- 3-(2-METHOXY-5-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
- 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid
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- MDL: MFCD18312745
- Inchi: 1S/C15H11F3O3/c1-21-13-6-5-11(15(16,17)18)8-12(13)9-3-2-4-10(7-9)14(19)20/h2-8H,1H3,(H,19,20)
- InChI Key: GYKNNOAYNPPAJO-UHFFFAOYSA-N
- SMILES: FC(C1C=CC(=C(C=1)C1C=CC=C(C(=O)O)C=1)OC)(F)F
Computed Properties
- Exact Mass: 296.06602869Da
- Monoisotopic Mass: 296.06602869Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 370
- 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: 3.9
- Topological Polar Surface Area: 46.5?2
3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB318574-5 g |
3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid, 95%; . |
1261896-41-6 | 95% | 5g |
€1,159.00 | 2022-06-11 | |
| abcr | AB318574-5g |
3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid, 95%; . |
1261896-41-6 | 95% | 5g |
€1159.00 | 2025-04-21 |
3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
Additional information on 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid
Comprehensive Overview of 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid (CAS No. 1261896-41-6)
3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid (CAS No. 1261896-41-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This benzoic acid derivative is characterized by its unique structural features, including a methoxy group and a trifluoromethylphenyl moiety, which contribute to its distinct chemical properties and potential applications. Researchers and industry professionals are increasingly interested in this compound due to its relevance in drug discovery and material science.
The compound's CAS number 1261896-41-6 serves as a critical identifier in chemical databases, ensuring accurate referencing in scientific literature. Its molecular structure, featuring a benzene ring substituted with a carboxylic acid group, makes it a versatile intermediate in synthetic chemistry. The presence of the trifluoromethyl group enhances its lipophilicity, a property highly valued in the design of bioactive molecules. This attribute aligns with current trends in medicinal chemistry, where fluorinated compounds are explored for their improved metabolic stability and bioavailability.
In the context of drug development, 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid is often investigated as a building block for small-molecule inhibitors. Its structural motifs are frequently found in compounds targeting enzyme modulation and receptor binding, areas of high interest in treating chronic diseases. The compound's potential role in cancer therapeutics and inflammatory disorders has been a subject of preliminary studies, though further validation is required. This aligns with the growing demand for precision medicine and targeted therapies, which dominate contemporary biomedical research.
From a synthetic chemistry perspective, the compound's methoxy and trifluoromethyl substitutions offer opportunities for selective functionalization. Chemists leverage these groups to develop highly specific derivatives, a strategy that resonates with the broader shift toward green chemistry and atom-efficient synthesis. The compound's stability under various reaction conditions makes it a reliable candidate for multistep organic transformations, a topic frequently searched by synthetic chemists optimizing catalytic processes.
Beyond pharmaceuticals, 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid finds applications in advanced material science. Its aromatic core and functional groups make it a potential candidate for designing organic semiconductors or liquid crystal materials. These applications are particularly relevant given the surge in interest around flexible electronics and energy-efficient displays, topics that frequently trend in scientific and industrial forums.
Analytical characterization of this compound typically involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods ensure the compound meets the stringent quality standards required for research and industrial use. The emphasis on analytical validation reflects the broader industry focus on quality-by-design (QbD) principles, a recurring theme in regulatory discussions.
In summary, 3-(2-Methoxy-5-trifluoromethylphenyl)benzoic acid (CAS No. 1261896-41-6) represents a multifaceted compound with significant potential across diverse scientific domains. Its structural complexity and functional adaptability position it as a valuable asset in innovative research, addressing some of the most pressing challenges in healthcare and technology. As the scientific community continues to explore its applications, this compound is poised to remain a topic of enduring interest and relevance.
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