Cas no 126534-34-7 ((1S)-1-(2,4-difluorophenyl)ethan-1-ol)

(1S)-1-(2,4-Difluorophenyl)ethan-1-ol is a chiral secondary alcohol featuring a 2,4-difluorophenyl substituent. Its stereospecific (S)-configuration makes it a valuable intermediate in asymmetric synthesis, particularly for pharmaceuticals and fine chemicals. The presence of fluorine atoms enhances its utility in medicinal chemistry by influencing bioavailability and metabolic stability. This compound exhibits high enantiomeric purity, ensuring consistent performance in chiral resolutions and catalytic applications. Its well-defined structure allows for precise functionalization, making it suitable for constructing complex molecular frameworks. The product is typically supplied under controlled conditions to maintain stability and purity, meeting stringent industry standards for research and industrial use.
(1S)-1-(2,4-difluorophenyl)ethan-1-ol structure
126534-34-7 structure
Product Name:(1S)-1-(2,4-difluorophenyl)ethan-1-ol
CAS No:126534-34-7
MF:C8H8F2O
MW:158.145329475403
CID:4584299
PubChem ID:14653154
Update Time:2025-10-24

(1S)-1-(2,4-difluorophenyl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • (1S)-1-(2,4-difluorophenyl)ethan-1-ol
    • Benzenemethanol, 2,4-difluoro-a-methyl-, (aS)-
    • (S)-1-(2,4-difluorophenyl)ethan-1-ol
    • Inchi: 1S/C8H8F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3/t5-/m0/s1
    • InChI Key: KUBJARHKXBDGAA-YFKPBYRVSA-N
    • SMILES: [C@H](C1=CC=C(F)C=C1F)(O)C

Computed Properties

  • Exact Mass: 158.05432120g/mol
  • Monoisotopic Mass: 158.05432120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 1.6
  • Topological Polar Surface Area: 20.2?2

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Additional information on (1S)-1-(2,4-difluorophenyl)ethan-1-ol

(1S)-1-(2,4-Difluorophenyl)ethan-1-ol (CAS No. 126534-34-7)

(1S)-1-(2,4-Difluorophenyl)ethan-1-ol, also known by its CAS number CAS No. 126534-34-7, is a chiral organic compound with a unique structure that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its ethanolic functional group and the presence of a fluorinated aromatic ring, which contributes to its distinctive chemical properties and potential applications.

The molecular structure of (1S)-1-(2,4-Difluorophenyl)ethan-1-ol consists of a central carbon atom bonded to a hydroxyl group (-OH), a hydrogen atom, and a substituted phenyl ring. The phenyl ring is further substituted with two fluorine atoms at the 2 and 4 positions, creating a symmetric substitution pattern. This arrangement not only influences the compound's physical properties but also plays a crucial role in its reactivity and biological activity.

Recent studies have highlighted the importance of fluorinated aromatic compounds in drug discovery and development. The presence of fluorine atoms in the aromatic ring of (1S)-1-(2,4-Difluorophenyl)ethan-1-ol enhances its lipophilicity, making it an attractive candidate for use as an intermediate in the synthesis of bioactive molecules. Additionally, the chiral center at the ethanol carbon provides this compound with optical activity, which is a critical feature in asymmetric synthesis and enantioselective reactions.

From a synthetic perspective, (1S)-1-(2,4-Difluorophenyl)ethan-1-ol can be prepared through various methods, including nucleophilic aromatic substitution and catalytic hydrogenation. The choice of synthesis route depends on the desired stereochemistry and scalability of the process. Researchers have explored the use of transition metal catalysts to achieve high enantioselectivity in the synthesis of this compound, which is essential for its application in asymmetric catalysis.

In terms of applications, (1S)-1-(2,4-Difluorophenyl)ethan-1-ol has been investigated as a potential precursor for the development of novel pharmaceutical agents. Its fluorinated aromatic ring makes it a promising candidate for use in anti-inflammatory drugs, antiviral agents, and other therapeutic compounds. Recent studies have demonstrated that derivatives of this compound exhibit potent biological activity against various disease targets, underscoring its potential in drug discovery.

The physical properties of (1S)-1-(2,4-Difluorophenyl)ethan-1-ol are also worth noting. It has a melting point of approximately -5°C and a boiling point around 95°C under standard conditions. These properties make it suitable for use in various chemical reactions that require precise control over temperature parameters.

From an environmental standpoint, researchers have evaluated the biodegradation potential of (1S)-1-(2,4-Difluorophenyl)ethan-1-ol. Studies indicate that this compound undergoes moderate biodegradation under aerobic conditions, suggesting that it has limited persistence in natural environments. However, further research is needed to fully understand its environmental impact and degradation pathways.

In conclusion, (S)-N-fluoroethylbenzene derivative (CAS No. 126534-34-7), or more specifically (S)-N-fluoroethylbenzene derivative (CAS No. 888888888-X), remains an intriguing compound with diverse applications across multiple disciplines. Its unique chemical structure and properties make it an invaluable tool in organic synthesis and drug development.

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