Cas no 252901-50-1 (4-Ethoxy-3-(trifluoromethyl)benzoic acid)
4-Ethoxy-3-(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-乙氧基-3-(三氟甲基)苯甲酸,97
- 4-ethoxy-3-(trifluoromethyl)benzoic acid
- CKA90150
- 4-ethoxy-3-(trifluoromethyl)benzoicacid
- Benzoic acid, 4-ethoxy-3-(trifluoromethyl)-
- 4-Ethoxy-3-(trifluoromethyl)benzoic acid
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- Inchi: 1S/C10H9F3O3/c1-2-16-8-4-3-6(9(14)15)5-7(8)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)
- InChI Key: KWEQYUCUGSDCHR-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C(=O)O)C=CC=1OCC)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 252
- XLogP3: 2.7
- Topological Polar Surface Area: 46.5
4-Ethoxy-3-(trifluoromethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 214533-5g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 5g |
£104.00 | 2022-03-01 | ||
| Fluorochem | 214533-25g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 25g |
£416.00 | 2022-03-01 | ||
| TRC | E893065-10mg |
4-Ethoxy-3-(trifluoromethyl)benzoic Acid |
252901-50-1 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E893065-50mg |
4-Ethoxy-3-(trifluoromethyl)benzoic Acid |
252901-50-1 | 50mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E893065-100mg |
4-Ethoxy-3-(trifluoromethyl)benzoic Acid |
252901-50-1 | 100mg |
$ 80.00 | 2022-06-05 | ||
| Apollo Scientific | PC302334-1g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 98% | 1g |
£18.00 | 2024-05-25 | |
| Apollo Scientific | PC302334-5g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 98% | 5g |
£71.00 | 2024-05-25 | |
| A2B Chem LLC | AF34928-1g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 95% | 1g |
$63.00 | 2024-04-20 | |
| A2B Chem LLC | AF34928-5g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 95 | 5g |
$143.00 | 2024-04-20 | |
| Crysdot LLC | CD12091364-25g |
4-Ethoxy-3-(trifluoromethyl)benzoic acid |
252901-50-1 | 97% | 25g |
$494 | 2024-07-24 |
4-Ethoxy-3-(trifluoromethyl)benzoic acid Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on 4-Ethoxy-3-(trifluoromethyl)benzoic acid
Introduction to 4-Ethoxy-3-(trifluoromethyl)benzoic acid (CAS No. 252901-50-1) and Its Applications in Modern Chemical Research
4-Ethoxy-3-(trifluoromethyl)benzoic acid, identified by the chemical compound code CAS No. 252901-50-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, featuring a benzoic acid core with ethoxy and trifluoromethyl substituents, exhibits unique structural and functional properties that make it a valuable intermediate in the synthesis of various bioactive molecules. The presence of both ethoxy and trifluoromethyl groups imparts distinct electronic and steric characteristics, which are highly influential in determining its reactivity and utility in synthetic pathways.
The benzoic acid scaffold is a well-documented motif in medicinal chemistry, known for its role in the development of drugs targeting a wide range of therapeutic areas, including anti-inflammatory, antimicrobial, and anticancer agents. The introduction of an ethoxy group at the 4-position and a trifluoromethyl group at the 3-position further modulates the pharmacokinetic and pharmacodynamic properties of the molecule. These modifications enhance its solubility, metabolic stability, and binding affinity to biological targets, making it an attractive candidate for further derivatization and optimization.
In recent years, there has been a growing interest in fluorinated aromatic compounds due to their enhanced bioavailability and metabolic resistance. The trifluoromethyl group, in particular, is renowned for its ability to improve the lipophilicity and binding affinity of drug candidates. Studies have demonstrated that compounds incorporating this moiety often exhibit greater efficacy and reduced susceptibility to enzymatic degradation. This has led to its widespread use in the design of next-generation pharmaceuticals.
4-Ethoxy-3-(trifluoromethyl)benzoic acid has been employed as a key intermediate in the synthesis of various heterocyclic compounds, which are known for their diverse biological activities. For instance, researchers have utilized this compound to develop novel inhibitors targeting enzymes involved in cancer metabolism. The combination of the ethoxy and trifluoromethyl groups provides a favorable balance between electronic effects and steric hindrance, enabling precise tuning of molecular interactions with biological receptors.
Moreover, the compound's utility extends beyond pharmaceutical applications. It has been explored in materials science as a precursor for high-performance polymers and coatings. The fluorinated aromatic ring contributes to enhanced thermal stability and chemical resistance, making it suitable for industrial applications where durability is paramount.
The synthesis of 4-Ethoxy-3-(trifluoromethyl)benzoic acid typically involves multi-step organic reactions, starting from commercially available aromatic precursors. Advanced synthetic methodologies, such as cross-coupling reactions and palladium-catalyzed transformations, have been employed to introduce the desired functional groups with high selectivity and yield. These synthetic strategies highlight the compound's importance as a building block in modern chemical synthesis.
Recent research has also focused on green chemistry approaches to optimize the production of 4-Ethoxy-3-(trifluoromethyl)benzoic acid. By employing solvent-free conditions or using biodegradable solvents, scientists aim to minimize environmental impact while maintaining high reaction efficiency. Such efforts align with global initiatives to promote sustainable chemical manufacturing practices.
The pharmacological potential of derivatives of 4-Ethoxy-3-(trifluoromethyl)benzoic acid continues to be explored through computational modeling and experimental validation. Virtual screening techniques have identified several promising analogs with enhanced binding affinity to target proteins. These findings underscore the compound's significance as a scaffold for drug discovery programs targeting neurological disorders, inflammatory diseases, and infectious pathogens.
In conclusion, 4-Ethoxy-3-(trifluoromethyl)benzoic acid (CAS No. 252901-50-1) represents a versatile intermediate with broad applications in pharmaceuticals and materials science. Its unique structural features, combined with its synthetic accessibility, make it an indispensable tool for researchers seeking to develop innovative therapeutics and advanced materials. As scientific understanding progresses, it is anticipated that new applications for this compound will continue to emerge, further solidifying its role as a cornerstone of modern chemical research.
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