Cas no 920501-67-3 (2-(2,4-Difluorophenyl)-2-methylpropanoic acid)
2-(2,4-Difluorophenyl)-2-methylpropanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(2,4-difluorophenyl)-2-methylpropanoic acid
- Z2787257595
- 2-(2,4-Difluorophenyl)-2-methylpropanoic acid
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- Inchi: 1S/C10H10F2O2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14)
- InChI Key: OWPQMQYTPNHEOH-UHFFFAOYSA-N
- SMILES: FC1C=C(C=CC=1C(C(=O)O)(C)C)F
Computed Properties
- Exact Mass: 200.06488588g/mol
- Monoisotopic Mass: 200.06488588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 2.5
- Topological Polar Surface Area: 37.3
2-(2,4-Difluorophenyl)-2-methylpropanoic acid Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-378413-0.05g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
920501-67-3 | 95.0% | 0.05g |
$76.0 | 2025-03-21 | |
| Enamine | EN300-378413-0.1g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
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| Enamine | EN300-378413-0.25g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
920501-67-3 | 95.0% | 0.25g |
$162.0 | 2025-03-21 | |
| Enamine | EN300-378413-0.5g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
920501-67-3 | 95.0% | 0.5g |
$310.0 | 2025-03-21 | |
| Enamine | EN300-378413-1.0g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
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| Enamine | EN300-378413-2.5g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
920501-67-3 | 95.0% | 2.5g |
$810.0 | 2025-03-21 | |
| Enamine | EN300-378413-5.0g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
920501-67-3 | 95.0% | 5.0g |
$1199.0 | 2025-03-21 | |
| Enamine | EN300-378413-10.0g |
2-(2,4-difluorophenyl)-2-methylpropanoic acid |
920501-67-3 | 95.0% | 10.0g |
$1778.0 | 2025-03-21 | |
| 1PlusChem | 1P01BICG-50mg |
Benzeneacetic acid, 2,4-difluoro-a,a-dimethyl- |
920501-67-3 | 95% | 50mg |
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| 1PlusChem | 1P01BICG-100mg |
Benzeneacetic acid, 2,4-difluoro-a,a-dimethyl- |
920501-67-3 | 95% | 100mg |
$161.00 | 2025-03-19 |
2-(2,4-Difluorophenyl)-2-methylpropanoic acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
Additional information on 2-(2,4-Difluorophenyl)-2-methylpropanoic acid
Introduction to 2-(2,4-Difluorophenyl)-2-methylpropanoic acid (CAS No. 920501-67-3)
2-(2,4-Difluorophenyl)-2-methylpropanoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 920501-67-3, is a fluorinated aromatic carboxylic acid derivative that has garnered significant attention in the field of medicinal chemistry and drug discovery. This compound belongs to a class of molecules characterized by the presence of fluorine atoms at specific positions on the aromatic ring, which often enhances its pharmacological properties, including improved metabolic stability and binding affinity. The structural motif of 2-(2,4-Difluorophenyl)-2-methylpropanoic acid combines a fluoro-substituted phenyl group with a branched alkyl side chain terminated by a carboxylic acid functional group, making it a versatile scaffold for further chemical modifications and biological evaluations.
The synthesis of 2-(2,4-Difluorophenyl)-2-methylpropanoic acid typically involves multi-step organic reactions, often starting from commercially available precursors such as 2,4-difluorobenzaldehyde or 2,4-difluorobenzyl halides. Key synthetic strategies may include Friedel-Crafts acylation or alkylation to introduce the branched alkyl group, followed by oxidation to convert an alcohol or aldehyde moiety into the carboxylic acid functionality. The precise control of reaction conditions is crucial to ensure high yield and purity, as impurities can significantly affect downstream applications.
In recent years, fluorinated aromatic compounds have been extensively studied due to their unique electronic and steric properties. The presence of fluorine atoms at the 2 and 4 positions of the phenyl ring in 2-(2,4-Difluorophenyl)-2-methylpropanoic acid imparts electron-withdrawing effects, which can modulate the reactivity and binding interactions of the molecule. This feature has been exploited in the design of novel pharmaceutical agents targeting various biological pathways. For instance, fluorinated aromatic acids have shown promise in inhibiting enzymes involved in cancer metabolism and inflammation by selectively interacting with key amino acid residues in the active sites.
One of the most compelling aspects of 2-(2,4-Difluorophenyl)-2-methylpropanoic acid is its potential as a building block for more complex drug candidates. Researchers have leveraged its structural features to develop derivatives with enhanced pharmacokinetic profiles or improved therapeutic efficacy. For example, modifications at the carboxylic acid group can introduce amide or ester linkages, enabling conjugation with other bioactive molecules or polymers for targeted drug delivery systems. Similarly, variations in the branched alkyl side chain can fine-tune lipophilicity and solubility parameters, which are critical factors in determining oral bioavailability and tissue distribution.
The biological activity of 2-(2,4-Difluorophenyl)-2-methylpropanoic acid has been explored in several preclinical studies. Initial investigations have suggested that this compound exhibits inhibitory effects on certain kinases and proteases implicated in chronic diseases such as cancer and neurodegenerative disorders. The fluoro-substituted phenyl ring appears to play a pivotal role in mediating these interactions by forming hydrogen bonds or hydrophobic interactions with residues in the enzyme active site. Furthermore, computational modeling studies have predicted that structural analogs of 920501-67-3 may exhibit potent binding affinities to other therapeutic targets, opening up avenues for further exploration.
Advances in synthetic methodologies have also contributed to the growing interest in fluoroaromatic carboxylic acids like 920501-67-3. Modern techniques such as flow chemistry and transition-metal-catalyzed reactions have enabled more efficient and scalable production processes. These innovations not only reduce costs but also allow for rapid screening of large libraries of derivatives to identify lead compounds with optimized properties. As a result, companies specializing in fine chemicals are increasingly investing in fluorinated building blocks to meet the demands of pharmaceutical research.
The safety profile of (CAS No. 920501-67-3) is another critical consideration when evaluating its potential for industrial or research applications. While preliminary toxicology studies suggest that this compound is well-tolerated at moderate doses, further investigations are necessary to assess long-term effects and potential side reactions under various exposure conditions. Regulatory agencies typically require comprehensive data on chemical stability, environmental impact, and human health risks before approving new compounds for commercial use or clinical trials.
In conclusion,(CAS No 920501-67-3) represents an intriguing molecule with significant potential in medicinal chemistry and drug development. Its unique structural features—combining a fluoro-substituted phenyl ring with a branched alkyl side chain—make it a valuable scaffold for designing novel therapeutic agents targeting diverse diseases. As research continues to uncover new applications for fluorinated aromatic compounds,(CAS No 920501-67-3) is likely to remain at the forefront of academic and industrial investigations.
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