Cas no 207853-61-0 (2,5-Difluoromandelic acid)

2,5-Difluoromandelic acid is a fluorinated derivative of mandelic acid, characterized by the presence of fluorine atoms at the 2 and 5 positions on the aromatic ring. This structural modification enhances its utility as a chiral building block in organic synthesis, particularly in pharmaceutical and agrochemical applications. The fluorine substituents influence both electronic and steric properties, improving reactivity and selectivity in asymmetric transformations. Its high purity and well-defined stereochemistry make it valuable for the preparation of enantiomerically enriched compounds. Additionally, the acid's stability under standard conditions ensures consistent performance in synthetic workflows. It is commonly employed in the development of bioactive molecules and fine chemicals.
2,5-Difluoromandelic acid structure
2,5-Difluoromandelic acid structure
Product Name:2,5-Difluoromandelic acid
CAS No:207853-61-0
MF:C8H6F2O3
MW:188.128249645233
MDL:MFCD00061297
CID:66776
PubChem ID:588649
Update Time:2025-08-10

2,5-Difluoromandelic acid Chemical and Physical Properties

Names and Identifiers

    • 2,5-Difluoromandelic acid
    • alpha-Hydroxy-2,5-difluorophenylaceticacid
    • à-hydroxy-2,5-difluorophenylacetic acid
    • 2-(2,5-difluorophenyl)-2-hydroxyacetic acid
    • 2,4-DIFLUOROBIPHENYL
    • PATKDMCCMCSATF-UHFFFAOYSA-N
    • 2-(2,5-difluorophenyl)-2-hydroxyaceticacid
    • AKOS009158212
    • 207853-61-0
    • PS-6598
    • (2,5-Difluorophenyl)(hydroxy)acetic acid #
    • A814894
    • Benzeneacetic acid, 2,5-difluoro-alpha-hydroxy-
    • SY314736
    • MFCD00061297
    • SCHEMBL1668569
    • DTXSID70343274
    • FT-0652897
    • FT-0610361
    • 2,5-Difluoro-a-hydroxybenzeneacetic acid
    • 2,5-Difluoromandelicacid
    • 2-(2, 5-difluorophenyl)-2-hydroxyacetic acid
    • AC-10453
    • EN300-1850247
    • CS-0268875
    • 2-[2,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoic acid
    • DB-045366
    • (2,5-Difluorophenyl)(hydroxy)acetic acid
    • G77751
    • MDL: MFCD00061297
    • Inchi: 1S/C8H6F2O3/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
    • InChI Key: PATKDMCCMCSATF-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1C(C(=O)O)O)F

Computed Properties

  • Exact Mass: 188.02900
  • Monoisotopic Mass: 188.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1
  • Topological Polar Surface Area: 57.5A^2

Experimental Properties

  • Color/Form: White or cream colored solid
  • Density: 1.522
  • Melting Point: 110-112°C
  • Boiling Point: 310.1°C at 760 mmHg
  • Flash Point: 141.3°C
  • Refractive Index: 1.542
  • PSA: 57.53000
  • LogP: 1.08280
  • Solubility: Not determined

2,5-Difluoromandelic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2,5-Difluoromandelic acid Customs Data

  • HS CODE:2918199090
  • Customs Data:

    China Customs Code:

    2918199090

    Overview:

    HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Additional information on 2,5-Difluoromandelic acid

2,5-Difluoromandelic Acid (CAS No. 207853-61-0): A Comprehensive Overview

2,5-Difluoromandelic acid (CAS No. 207853-61-0) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique molecular structure, holds potential applications in various therapeutic areas, including the development of novel drugs and diagnostic agents.

The chemical formula of 2,5-Difluoromandelic acid is C9H6F2O3, and it features a benzene ring substituted with two fluorine atoms at the 2 and 5 positions, along with a carboxylic acid group. This specific arrangement of functional groups imparts unique physical and chemical properties to the molecule, making it an interesting subject for both academic and industrial research.

In recent years, the study of fluorinated compounds has seen a surge in interest due to their favorable pharmacological properties. Fluorine atoms can significantly influence the lipophilicity, metabolic stability, and binding affinity of molecules, which are crucial factors in drug design. 2,5-Difluoromandelic acid is no exception; its fluorine substituents enhance its ability to interact with biological targets, potentially leading to improved therapeutic outcomes.

The synthesis of 2,5-Difluoromandelic acid has been extensively studied and optimized. One common synthetic route involves the reaction of 2,5-difluorobenzaldehyde with an appropriate carboxylic acid derivative under controlled conditions. This method has been refined to achieve high yields and purity, making it suitable for large-scale production. The robustness and reproducibility of this synthetic pathway have contributed to the widespread availability of 2,5-Difluoromandelic acid for research purposes.

In the realm of medicinal chemistry, 2,5-Difluoromandelic acid has shown promise as a lead compound for the development of new drugs. Its ability to modulate specific biological pathways has been explored in various preclinical studies. For instance, recent research has demonstrated that derivatives of 2,5-Difluoromandelic acid exhibit potent anti-inflammatory and anti-cancer activities. These findings suggest that further investigation into the pharmacological properties of this compound could yield valuable therapeutic agents.

Beyond its potential as a drug candidate, 2,5-Difluoromandelic acid has also found applications in the development of diagnostic tools. The unique electronic properties of fluorine atoms make this compound suitable for use in imaging techniques such as positron emission tomography (PET). By incorporating 2,5-Difluoromandelic acid into imaging agents, researchers can achieve enhanced contrast and specificity in medical imaging studies.

The safety profile of 2,5-Difluoromandelic acid is another important aspect that has been thoroughly evaluated. Preclinical toxicology studies have indicated that this compound exhibits low toxicity at relevant concentrations. However, as with any chemical compound used in pharmaceutical research, ongoing safety assessments are essential to ensure its safe use in clinical settings.

In conclusion, 2,5-Difluoromandelic acid (CAS No. 207853-61-0) is a multifaceted compound with significant potential in both medicinal chemistry and diagnostic applications. Its unique molecular structure and favorable pharmacological properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new insights into its behavior and applications, the future prospects for this compound appear promising.

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