Cas no 339-17-3 (Methyl 3,3,3-trifluoro-2-methylpropanoate)
Methyl 3,3,3-trifluoro-2-methylpropanoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 3,3,3-trifluoro-2-methylpropanoate
- 2-(trifluoromethyl)propionic acid methyl ester
- AGN-PC-00LBWX
- AK100642
- ANW-70052
- CTK8C3405
- KB-256095
- Methyl 2-methyl-3,3,3-trifluoropropionate
- 339-17-3
- QVCCKIYWFLMCCI-UHFFFAOYSA-N
- G32847
- EN300-193376
- A875150
- SCHEMBL10710117
- Methyl 3,3,3-trifluoro-2-methylpropionate
- CS-0214793
- DTXSID20525523
- Methyl3,3,3-trifluoro-2-methylpropanoate
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- MDL: MFCD23135753
- Inchi: 1S/C5H7F3O2/c1-3(4(9)10-2)5(6,7)8/h3H,1-2H3
- InChI Key: QVCCKIYWFLMCCI-UHFFFAOYSA-N
- SMILES: FC(C(C(=O)OC)C)(F)F
Computed Properties
- Exact Mass: 156.03981395g/mol
- Monoisotopic Mass: 156.03981395g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 129
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 26.3?2
Methyl 3,3,3-trifluoro-2-methylpropanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM125016-1g |
methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 95% | 1g |
$356 | 2021-08-05 | |
| TRC | M341218-10mg |
Methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 10mg |
$ 70.00 | 2022-06-03 | ||
| TRC | M341218-50mg |
Methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 50mg |
$ 230.00 | 2022-06-03 | ||
| TRC | M341218-100mg |
Methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 100mg |
$ 365.00 | 2022-06-03 | ||
| Apollo Scientific | PC99132-250mg |
Methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 97% | 250mg |
£84.00 | 2025-02-22 | |
| Apollo Scientific | PC99132-1g |
Methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 97% | 1g |
£280.00 | 2025-02-22 | |
| Chemenu | CM125016-1g |
methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 95% | 1g |
$*** | 2023-03-29 | |
| Enamine | EN300-193376-0.05g |
methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 95% | 0.05g |
$42.0 | 2023-09-17 | |
| Enamine | EN300-193376-0.1g |
methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 95% | 0.1g |
$63.0 | 2023-09-17 | |
| Enamine | EN300-193376-0.25g |
methyl 3,3,3-trifluoro-2-methylpropanoate |
339-17-3 | 95% | 0.25g |
$89.0 | 2023-09-17 |
Methyl 3,3,3-trifluoro-2-methylpropanoate Suppliers
Methyl 3,3,3-trifluoro-2-methylpropanoate 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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
Additional information on Methyl 3,3,3-trifluoro-2-methylpropanoate
Research Update on Methyl 3,3,3-trifluoro-2-methylpropanoate (CAS: 339-17-3) in Chemical and Biomedical Applications
Methyl 3,3,3-trifluoro-2-methylpropanoate (CAS: 339-17-3) is a fluorinated ester compound that has garnered significant attention in recent years due to its versatile applications in pharmaceutical synthesis, agrochemicals, and material science. This research briefing provides an overview of the latest advancements related to this compound, focusing on its synthetic methodologies, biological activities, and potential industrial applications. The compound's unique trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery and development.
Recent studies have explored novel synthetic routes for Methyl 3,3,3-trifluoro-2-methylpropanoate, with an emphasis on green chemistry principles. A 2023 publication in the Journal of Fluorine Chemistry demonstrated a catalytic asymmetric synthesis method using chiral palladium complexes, achieving high enantioselectivity (up to 98% ee) under mild reaction conditions. This breakthrough addresses previous challenges in stereocontrol during the introduction of the trifluoromethyl group, opening new possibilities for the production of optically active derivatives for pharmaceutical applications.
In the pharmaceutical domain, researchers have investigated the compound's potential as a building block for protease inhibitors and anti-inflammatory agents. A collaborative study between academic and industrial teams (published in Bioorganic & Medicinal Chemistry Letters, 2024) reported the successful incorporation of 339-17-3 into novel COX-2 selective inhibitors, showing improved pharmacokinetic properties compared to traditional NSAIDs. The trifluoromethyl group was found to significantly enhance membrane permeability while maintaining target specificity, as confirmed by molecular dynamics simulations and in vitro assays.
The agrochemical sector has also benefited from research on Methyl 3,3,3-trifluoro-2-methylpropanoate. Recent patent filings (WO2023124567, 2023) describe its use as a key intermediate in next-generation fluorinated herbicides with reduced environmental persistence. Field trials conducted in 2024 demonstrated that derivatives of 339-17-3 exhibit potent herbicidal activity at lower application rates compared to conventional products, while showing improved soil degradation profiles as measured by HPLC-MS analysis.
Analytical characterization of Methyl 3,3,3-trifluoro-2-methylpropanoate has advanced significantly, with new NMR techniques (including 19F-DOSY) enabling more precise structural elucidation of its derivatives. A 2024 study in Analytical Chemistry presented a comprehensive spectral database for fluorinated compounds including 339-17-3, facilitating quality control in industrial production. These developments are particularly relevant given the increasing regulatory scrutiny of fluorinated compounds in various jurisdictions.
Looking forward, research priorities for Methyl 3,3,3-trifluoro-2-methylpropanoate include the development of more sustainable production methods and expanded biological screening. Computational chemistry approaches are being increasingly employed to predict novel applications, with machine learning models trained on existing data showing promise for identifying new therapeutic targets. The compound's unique properties continue to make it a focus of innovation in fluorine chemistry and its interdisciplinary applications.
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