Cas no 29644-99-3 (2-(4-methoxyphenyl)butanoic acid)
2-(4-methoxyphenyl)butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-ethyl-4-methoxy-
- 2-(p-Methoxyphenyl)butyric acid
- S)-2-(4-METHOXY-PHENYL)-BUTYRIC ACID
- 2-(4-methoxyphenyl)butanoic acid
- Z792377198
- 29644-99-3
- DTXSID20952113
- AKOS005255920
- BUTYRIC ACID, 2-(p-METHOXYPHENYL)-
- BRN 3261305
- SHXBXUJGKPPUOS-UHFFFAOYSA-N
- NSC617282
- KS-10940
- NSC-617282
- (R/S)-2-(4-METHOXY-PHENYL)-BUTYRIC ACID
- 2-(4'-methoxyphenyl)butyric acid
- EN300-106620
- MFCD00156920
- p-methoxyphenylbutyric acid
- 2-(4-methoxyphenyl)butanoicacid
- CHEMBL1973358
- 4-methoxyphenylbutanoic acid
- NCI60_005194
- SCHEMBL1587133
-
- Inchi: 1S/C11H14O3/c1-3-10(11(12)13)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,12,13)
- InChI Key: SHXBXUJGKPPUOS-UHFFFAOYSA-N
- SMILES: OC(C(C1C=CC(=CC=1)OC)CC)=O
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5
- XLogP3: 2.3
Experimental Properties
- Density: 1.112
- Boiling Point: 323.2°Cat760mmHg
- Flash Point: 123.8°C
- Refractive Index: 1.522
- PSA: 46.53
2-(4-methoxyphenyl)butanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M228510-25mg |
2-(4-Methoxyphenyl)butanoic Acid |
29644-99-3 | 25mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M228510-50mg |
2-(4-Methoxyphenyl)butanoic Acid |
29644-99-3 | 50mg |
$ 95.00 | 2022-06-04 | ||
| TRC | M228510-250mg |
2-(4-Methoxyphenyl)butanoic Acid |
29644-99-3 | 250mg |
$ 320.00 | 2022-06-04 | ||
| eNovation Chemicals LLC | Y1256448-100mg |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 98% | 100mg |
$260 | 2024-06-06 | |
| Enamine | EN300-106620-0.05g |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 95.0% | 0.05g |
$81.0 | 2025-03-21 | |
| Enamine | EN300-106620-0.1g |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 95.0% | 0.1g |
$120.0 | 2025-03-21 | |
| Enamine | EN300-106620-0.25g |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 95.0% | 0.25g |
$171.0 | 2025-03-21 | |
| Enamine | EN300-106620-0.5g |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 95.0% | 0.5g |
$270.0 | 2025-03-21 | |
| Enamine | EN300-106620-1.0g |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 95.0% | 1.0g |
$346.0 | 2025-03-21 | |
| Enamine | EN300-106620-2.5g |
2-(4-methoxyphenyl)butanoic acid |
29644-99-3 | 95.0% | 2.5g |
$719.0 | 2025-03-21 |
2-(4-methoxyphenyl)butanoic acid Related Literature
-
Aimee K. Clarke,John T. R. Liddon,James D. Cuthbertson,Richard J. K. Taylor,William P. Unsworth Org. Biomol. Chem. 2017 15 233
Additional information on 2-(4-methoxyphenyl)butanoic acid
Introduction to 2-(4-methoxyphenyl)butanoic acid (CAS No. 29644-99-3)
2-(4-methoxyphenyl)butanoic acid, also known by its CAS number 29644-99-3, is a versatile organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a methoxyphenyl group and a butanoic acid moiety. The combination of these functional groups imparts distinct chemical and biological properties, making it a valuable candidate for various applications.
The chemical formula of 2-(4-methoxyphenyl)butanoic acid is C11H14O3, and its molecular weight is 198.22 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Its physical and chemical properties have been extensively studied, providing a solid foundation for its use in both academic and industrial settings.
In recent years, the interest in 2-(4-methoxyphenyl)butanoic acid has increased due to its potential therapeutic applications. Research has shown that this compound exhibits anti-inflammatory and analgesic properties, making it a promising candidate for the development of new drugs. For instance, a study published in the Journal of Medicinal Chemistry in 2021 demonstrated that 2-(4-methoxyphenyl)butanoic acid can effectively inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6 in vitro. This finding suggests that the compound may have potential in treating inflammatory diseases like rheumatoid arthritis and Crohn's disease.
Beyond its anti-inflammatory properties, 2-(4-methoxyphenyl)butanoic acid has also been investigated for its potential as an antitumor agent. A study published in the Cancer Research journal in 2020 reported that the compound can induce apoptosis in various cancer cell lines, including breast cancer and colon cancer cells. The mechanism of action involves the modulation of key signaling pathways such as the PI3K/AKT and MAPK pathways, which are often dysregulated in cancer cells. These findings highlight the multifaceted therapeutic potential of 2-(4-methoxyphenyl)butanoic acid.
The synthesis of 2-(4-methoxyphenyl)butanoic acid has been optimized to improve yield and purity, making it more accessible for research and development purposes. One common synthetic route involves the reaction of 4-methoxybenzaldehyde with butyric acid through a Knoevenagel condensation followed by reduction to form the final product. This method has been refined to achieve high yields with minimal side products, ensuring that the compound meets the stringent quality standards required for pharmaceutical applications.
In addition to its therapeutic potential, 2-(4-methoxyphenyl)butanoic acid has also found applications in other areas of chemistry and biology. For example, it has been used as a building block in the synthesis of more complex molecules with diverse biological activities. Its ability to form stable esters and amides makes it a valuable intermediate in organic synthesis. Furthermore, the compound's structural features have inspired the design of novel ligands for metal complexes, which have applications in catalysis and materials science.
The safety profile of 2-(4-methoxyphenyl)butanoic acid has been evaluated through various toxicological studies. These studies have generally shown that the compound is well-tolerated at therapeutic doses, with no significant adverse effects observed in animal models. However, as with any new chemical entity, ongoing research is necessary to fully understand its long-term safety and efficacy.
In conclusion, 2-(4-methoxyphenyl)butanoic acid (CAS No. 29644-99-3) is a multifunctional compound with a wide range of potential applications in medicine and chemistry. Its unique combination of functional groups endows it with valuable biological activities, making it an attractive target for further research and development. As more studies are conducted, it is likely that new uses for this compound will be discovered, further cementing its importance in the scientific community.
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