Cas no 412925-23-6 (3-amino-3-(2,4-difluorophenyl)propanoic Acid)

3-Amino-3-(2,4-difluorophenyl)propanoic acid is a fluorinated β-amino acid derivative with a phenyl ring substituted at the 2- and 4-positions with fluorine atoms. This structural feature enhances its utility as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the design of bioactive compounds. The presence of fluorine atoms improves metabolic stability and binding affinity in target molecules. The carboxylic acid and amino functional groups provide reactive sites for further derivatization, enabling its incorporation into peptidomimetics or small-molecule scaffolds. Its well-defined stereochemistry and high purity make it suitable for applications requiring precise molecular control, such as drug discovery and medicinal chemistry research.
3-amino-3-(2,4-difluorophenyl)propanoic Acid structure
412925-23-6 structure
Product Name:3-amino-3-(2,4-difluorophenyl)propanoic Acid
CAS No:412925-23-6
MF:C9H9F2NO2
MW:201.1700694561
MDL:MFCD02663205
CID:326499
PubChem ID:588424
Update Time:2025-10-30

3-amino-3-(2,4-difluorophenyl)propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, b-amino-2,4-difluoro-
    • 3-amino-3-(2,4-difluorophenyl)propanoic acid
    • 3-AMINO-3-(2,4-DIFLUORO-PHENYL)-PROPIONIC ACID
    • 3-Amino-3-(2,4-difluorophenyl)-propionic acid
    • BB_SC-6283
    • AB23548
    • CS-0181508
    • SR-01000307564
    • 3-Amino-3-(2,4-difluorophenyl)propionic Acid
    • BBL012155
    • AKOS016339938
    • DTXSID70343234
    • AB12025
    • SR-01000307564-1
    • BB 0249726
    • 11X-0829
    • A923960
    • Oprea1_623909
    • STK731592
    • AKOS000181703
    • SY044847
    • SCHEMBL3380010
    • MFCD02663205
    • rac-3-amino-3-(2,4-difluorophenyl)propanoic acid
    • AB35892
    • 3-amino-3-(2,4-difluorophenyl)propanoicacid
    • Z317027302
    • 3-AMINO-3-(2,4-DIFLUORO-PHENYL)-PROPIONICACID
    • EN300-84663
    • 412925-23-6
    • 3-(2,4-Difluorophenyl)-beta-alanine #
    • 3-Amino-3-(2,4-difluoro-phenyl)-propionic acid
    • 3-amino-3-(2,4-difluorophenyl)propanoic Acid
    • MDL: MFCD02663205
    • Inchi: 1S/C9H9F2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
    • InChI Key: RXNSEGYWKJUNMR-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C(CC(=O)O)N)F

Computed Properties

  • Exact Mass: 201.06000
  • Monoisotopic Mass: 201.06013485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 213
  • 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: -1.8
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32000
  • LogP: 2.13960

3-amino-3-(2,4-difluorophenyl)propanoic Acid Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Additional information on 3-amino-3-(2,4-difluorophenyl)propanoic Acid

3-Amino-3-(2,4-Difluorophenyl)Propanoic Acid (CAS No: 412925-23-6)

3-Amino-3-(2,4-difluorophenyl)propanoic acid is a compound with the CAS registry number 412925-23-6. This compound is a derivative of propanoic acid, featuring a substituted amino group and a fluorinated aromatic ring. The presence of the amino group and the fluorine atoms on the phenyl ring introduces unique chemical properties, making this compound a subject of interest in various research fields, particularly in drug discovery and organic synthesis.

The structure of 3-amino-3-(2,4-difluorophenyl)propanoic acid consists of a central propanoic acid backbone with an amino group attached to the third carbon. The phenyl ring is substituted at the 2 and 4 positions with fluorine atoms, which are known to enhance the lipophilicity and bioavailability of compounds. This substitution pattern also contributes to the compound's stability and reactivity in different chemical environments.

Recent studies have highlighted the potential of 3-amino-3-(2,4-difluorophenyl)propanoic acid in the development of novel therapeutic agents. Researchers have explored its role as a building block for constructing bioactive molecules, particularly in the context of medicinal chemistry. The amino group can act as a nucleophile in various reactions, enabling the synthesis of complex structures with desired pharmacological properties.

In terms of biological activity, 3-amino-3-(2,4-difluorophenyl)propanoic acid has shown promise in modulating enzyme activity and receptor binding. For instance, it has been investigated as a potential inhibitor of certain kinases and proteases, which are key targets in treating diseases such as cancer and inflammatory disorders. The fluorine atoms on the phenyl ring enhance the molecule's ability to interact with biological systems, making it a valuable tool in drug design.

The synthesis of 3-amino-3-(2,4-difluorophenyl)propanoic acid involves multi-step organic reactions. One common approach includes the coupling of an amino alcohol with a fluorinated aromatic aldehyde or ketone, followed by oxidation to form the carboxylic acid group. Researchers have optimized these reactions to achieve high yields and purity levels, ensuring that the compound meets rigorous quality standards for use in preclinical studies.

From an environmental perspective, 3-amino-3-(2,4-difluorophenyl)propanoic acid exhibits moderate biodegradability under aerobic conditions. However, its persistence in aquatic environments remains a topic of interest for eco-toxicological assessments. Regulatory agencies have established guidelines for handling and disposing of this compound to minimize its impact on ecosystems.

In conclusion, 3-amino-3-(2,4-difluorophenyl)propanoic acid (CAS No: 412925-23-6) is a versatile compound with significant potential in pharmaceutical research and development. Its unique structure and functional groups make it an attractive candidate for designing bioactive molecules with therapeutic applications. As research continues to uncover its full spectrum of properties and uses, this compound is expected to play an increasingly important role in advancing medical science.

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