Cas no 2248201-70-7 ((2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid)

(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid is a chiral carboxylic acid derivative featuring a fluorinated phenyl group and a dimethyl-substituted butanoic acid backbone. Its stereospecific (2S) configuration ensures precise molecular interactions, making it valuable in asymmetric synthesis and pharmaceutical intermediates. The 4-fluorophenyl moiety enhances metabolic stability and binding affinity in bioactive compounds, while the dimethyl substitution influences steric and electronic properties. This compound is particularly useful in medicinal chemistry for developing enzyme inhibitors or receptor modulators due to its defined chirality and structural rigidity. High purity and consistent stereochemical integrity are critical for research applications requiring reproducible results. Suitable for use in fine chemical synthesis and drug discovery.
(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid structure
2248201-70-7 structure
Product Name:(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid
CAS No:2248201-70-7
MF:C12H15FO2
MW:210.244707345963
CID:5762451
PubChem ID:137942150
Update Time:2025-05-25

(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2248201-70-7
    • (2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid
    • EN300-6505929
    • 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 >>

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(2S)-3-(4-Fluorophenyl)-2,3-dimethylbutanoic acid Related Literature

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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