Cas no 100701-51-7 (Propanedioic acid, fluoromethyl-, monoethyl ester)
Propanedioic acid, fluoromethyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, fluoromethyl-, monoethyl ester
- 3-ethoxy-2-(fluoromethyl)-3-oxopropanoate
- Propanedioic acid, 2-fluoro-2-methyl-, 1-ethyl ester
- 3-Ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid
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- Inchi: 1S/C6H9FO4/c1-3-11-5(10)6(2,7)4(8)9/h3H2,1-2H3,(H,8,9)
- InChI Key: OWFHJVJZEQPHJK-UHFFFAOYSA-N
- SMILES: C(OCC)(=O)C(F)(C)C(O)=O
Computed Properties
- Exact Mass: 164.04847
Experimental Properties
- Density: 1.251±0.06 g/cm3(Predicted)
- Boiling Point: 251.6±25.0 °C(Predicted)
- PSA: 66.43
- pka: 0.79±0.36(Predicted)
Propanedioic acid, fluoromethyl-, monoethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7464288-0.05g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 0.05g |
$197.0 | 2025-03-11 | |
| Enamine | EN300-7464288-0.1g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 0.1g |
$293.0 | 2025-03-11 | |
| Enamine | EN300-7464288-0.25g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 0.25g |
$418.0 | 2025-03-11 | |
| Enamine | EN300-7464288-0.5g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 0.5g |
$656.0 | 2025-03-11 | |
| Enamine | EN300-7464288-1.0g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 1.0g |
$842.0 | 2025-03-11 | |
| Enamine | EN300-7464288-2.5g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 2.5g |
$1650.0 | 2025-03-11 | |
| Enamine | EN300-7464288-5.0g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 5.0g |
$2443.0 | 2025-03-11 | |
| Enamine | EN300-7464288-10.0g |
3-ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid |
100701-51-7 | 95.0% | 10.0g |
$3622.0 | 2025-03-11 | |
| 1PlusChem | 1P00034R-50mg |
Propanedioic acid, 2-fluoro-2-methyl-, 1-ethyl ester |
100701-51-7 | 95% | 50mg |
$297.00 | 2023-12-27 | |
| 1PlusChem | 1P00034R-100mg |
Propanedioic acid, 2-fluoro-2-methyl-, 1-ethyl ester |
100701-51-7 | 95% | 100mg |
$412.00 | 2023-12-27 |
Propanedioic acid, fluoromethyl-, monoethyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on Propanedioic acid, fluoromethyl-, monoethyl ester
Propanedioic acid, fluoromethyl-, monoethyl ester (CAS No. 100701-51-7): A Comprehensive Overview
Propanedioic acid, fluoromethyl-, monoethyl ester, identified by its CAS number 100701-51-7, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, belonging to the class of carboxylic acid esters, features a unique structural configuration that makes it a valuable intermediate in synthetic chemistry and a potential candidate for various biological applications.
The molecular structure of Propanedioic acid, fluoromethyl-, monoethyl ester consists of a propandioic acid backbone with a fluoromethyl group and a monoethyl ester substituent. This distinctive arrangement imparts unique chemical properties, including reactivity and solubility characteristics that are highly relevant in medicinal chemistry. The presence of the fluorine atom, in particular, is noteworthy as fluorinated compounds often exhibit enhanced metabolic stability and binding affinity in biological systems.
In recent years, there has been a growing interest in the development of novel fluorinated esters due to their potential applications in drug design. The research community has been exploring the use of such compounds as pharmacophores or intermediates in the synthesis of more complex molecules. For instance, studies have demonstrated that derivatives of Propanedioic acid, fluoromethyl-, monoethyl ester can serve as building blocks for the development of inhibitors targeting specific enzymatic pathways involved in diseases such as cancer and inflammation.
One of the most compelling aspects of this compound is its versatility in synthetic chemistry. The combination of the carboxylic acid ester functionality and the fluoromethyl group allows for a wide range of chemical modifications, enabling researchers to tailor its properties for specific applications. For example, the ester group can be hydrolyzed to yield the corresponding carboxylic acid, while the fluoromethyl group can undergo further substitution reactions to introduce additional functional moieties.
The pharmacological potential of Propanedioic acid, fluoromethyl-, monoethyl ester has also been investigated in several preclinical studies. Researchers have been particularly interested in its ability to modulate biological pathways associated with neurological disorders. Preliminary findings suggest that this compound may interact with certain neurotransmitter receptors, potentially leading to therapeutic effects in conditions such as Alzheimer's disease and Parkinson's disease. However, further studies are necessary to fully elucidate its mechanism of action and therapeutic efficacy.
The synthesis of Propanedioic acid, fluoromethyl-, monoethyl ester presents both challenges and opportunities for chemists. While there are established methods for producing this compound, optimizing yield and purity remains an area of active research. Advances in catalytic processes and green chemistry principles have opened new avenues for more efficient and sustainable synthesis routes. These developments not only enhance the accessibility of the compound but also align with global efforts to minimize environmental impact.
In addition to its pharmaceutical applications, Propanedioic acid, fluoromethyl-, monoethyl ester has found utility in materials science and agrochemical research. Its unique structural features make it a valuable precursor for synthesizing polymers with specialized properties, such as enhanced durability or biodegradability. Similarly, in agrochemistry, derivatives of this compound have shown promise as intermediates for developing novel pesticides and herbicides that are more effective and environmentally friendly.
The future direction of research on Propanedioic acid, fluoromethyl-, monoethyl ester is likely to be shaped by interdisciplinary collaborations between chemists, biologists, and pharmacologists. As our understanding of molecular interactions continues to evolve, new applications for this compound are expected to emerge. Furthermore, advancements in computational chemistry and artificial intelligence are likely to accelerate the discovery process by predicting novel derivatives with enhanced biological activity.
In conclusion, Propanedioic acid, fluoromethyl-, monoethyl ester (CAS No. 100701-51-7) is a multifaceted compound with significant potential across multiple domains of science and technology. Its unique structural features and chemical properties make it an invaluable tool for researchers working on drug development, materials science, and agrochemicals. As ongoing studies continue to uncover new applications and synthetic methodologies, this compound is poised to play an increasingly important role in advancing scientific knowledge and innovation.
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