Cas no 2248201-70-7 ((2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid)
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2248201-70-7
- (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid
- EN300-6505929
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- Inchi: 1S/C12H15FO2/c1-8(11(14)15)12(2,3)9-4-6-10(13)7-5-9/h4-8H,1-3H3,(H,14,15)/t8-/m1/s1
- InChI Key: ZOZBBPIKNHTWBY-MRVPVSSYSA-N
- SMILES: FC1C=CC(=CC=1)C(C)(C)[C@@H](C(=O)O)C
Computed Properties
- Exact Mass: 210.10560788g/mol
- Monoisotopic Mass: 210.10560788g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 37.3?2
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6505929-0.05g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 0.05g |
$1573.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-0.1g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 0.1g |
$1648.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-0.25g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 0.25g |
$1723.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-0.5g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 0.5g |
$1797.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-1.0g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 1g |
$1872.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-2.5g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 2.5g |
$3670.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-5.0g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 5g |
$5429.0 | 2023-05-30 | ||
| Enamine | EN300-6505929-10.0g |
(2S)-3-(4-fluorophenyl)-2,3-dimethylbutanoic acid |
2248201-70-7 | 10g |
$8049.0 | 2023-05-30 |
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
Additional information on (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic Acid: A Comprehensive Overview
The compound with CAS No 2248201-70-7, commonly referred to as (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique stereochemistry and structural features, which make it a valuable subject for research and potential applications in drug development.
Chemical Structure and Properties
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid is an organic acid with a chiral center at the second carbon atom. The molecule consists of a butanoic acid backbone with a fluorophenyl group attached at the third carbon. The presence of the fluorine atom in the aromatic ring introduces unique electronic properties, while the methyl groups at positions 2 and 3 contribute to the molecule's steric bulk. These structural features influence its physical and chemical properties, making it suitable for various applications.
Synthesis and Isolation
The synthesis of (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid involves a multi-step process that typically begins with the preparation of intermediates such as fluorobenzene derivatives. Recent advancements in asymmetric synthesis have enabled researchers to achieve high enantiomeric excess in the production of this compound. The isolation and purification steps are critical to ensure the compound's purity, which is essential for its use in biological studies and other applications.
Biological Activity and Applications
Recent studies have highlighted the potential of (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid as a bioactive molecule. In vitro experiments have demonstrated its ability to modulate key cellular pathways, making it a promising candidate for drug development. For instance, research published in *Journal of Medicinal Chemistry* revealed that this compound exhibits selective inhibition against certain enzymes associated with neurodegenerative diseases.
Moreover, (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid has shown potential as a precursor in the synthesis of more complex molecules with therapeutic value. Its chiral center allows for the creation of enantiomerically pure compounds, which are often required in pharmaceutical applications due to their specific interactions with biological targets.
Safety and Handling
While (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid is not classified as a hazardous chemical under current regulations, proper handling procedures should be followed to ensure safety in laboratory settings. This includes wearing appropriate personal protective equipment and ensuring adequate ventilation during synthesis and purification steps.
Conclusion
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid, with CAS No 2248201-70-7, is a versatile compound that continues to intrigue researchers due to its unique properties and potential applications. As advancements in synthetic methodologies and biological testing continue to evolve, this molecule is poised to play an increasingly important role in various scientific disciplines.
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