Cas no 763109-73-5 (5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid)

5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is a fluorinated isoxazole derivative with a dichlorophenyl substituent, offering a versatile scaffold for synthetic and medicinal chemistry applications. Its structural features, including the electron-withdrawing fluorine and chlorine groups, enhance reactivity and stability, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. The isoxazole ring provides a rigid heterocyclic core, while the carboxylic acid functionality allows for further derivatization via coupling or condensation reactions. This compound is particularly useful in the development of bioactive molecules due to its potential interactions with biological targets. High purity and well-defined synthetic routes ensure consistent performance in research and industrial applications.
5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid structure
763109-73-5 structure
Product Name:5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid
CAS No:763109-73-5
MF:C10H4Cl2FNO3
MW:276.048064231873
MDL:MFCD06199330
CID:982549
PubChem ID:45054399
Update Time:2025-10-28

5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid
    • 3-?Isoxazolecarboxylic acid, 5-?(2,?4-?dichloro-?5-?fluorophenyl)?-
    • 5-(2,4-dichloro-5-fluorophenyl)-3-Isoxazolecarboxylic acid
    • C10H4Cl2FNO3
    • 5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazole-3-carboxylic acid
    • 5682AH
    • TRA0071894
    • SY015192
    • BC1397361
    • AX8269069
    • 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylicAcid
    • AKOS017560550
    • MFCD06199330
    • CS-0206976
    • FT-0749584
    • A865506
    • 5-(2 pound not4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic Acid
    • DTXSID501193342
    • AS-32641
    • 763109-73-5
    • DA-18233
    • MDL: MFCD06199330
    • Inchi: 1S/C10H4Cl2FNO3/c11-5-2-6(12)7(13)1-4(5)9-3-8(10(15)16)14-17-9/h1-3H,(H,15,16)
    • InChI Key: GYGRZIHMRZATQY-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=CC=1C1=CC(C(=O)O)=NO1)F)Cl

Computed Properties

  • Exact Mass: 274.955
  • Monoisotopic Mass: 274.955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.3
  • XLogP3: 3.2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.6±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 459.5±45.0 °C at 760 mmHg
  • Flash Point: 231.7±28.7 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid Security Information

5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid Pricemore >>

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Additional information on 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid

Introduction to 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid (CAS No. 763109-73-5)

5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is a significant compound in the realm of pharmaceutical chemistry, recognized for its versatile applications in medicinal research and drug development. This compound, identified by the CAS number 763109-73-5, belongs to the isoxazole class of heterocyclic organic compounds, which have garnered considerable attention due to their structural flexibility and biological activity. The presence of both chloro and fluoro substituents in its aromatic ring enhances its pharmacological potential, making it a valuable scaffold for designing novel therapeutic agents.

The structural motif of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid consists of an isoxazole ring linked to a carboxylic acid functional group, with a substituted phenyl ring at the 5-position. This configuration allows for multiple points of chemical modification, enabling researchers to fine-tune its properties for specific biological targets. The dichloro and fluoro groups contribute to the compound's lipophilicity and metabolic stability, which are critical factors in drug design.

In recent years, there has been a surge in research focusing on isoxazole derivatives due to their demonstrated efficacy in various therapeutic areas. Studies have highlighted the potential of this class of compounds in addressing neurological disorders, infectious diseases, and cancer. The unique electronic properties imparted by the halogen substituents make 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid particularly interesting for further exploration.

One of the most compelling aspects of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is its role as a key intermediate in synthesizing more complex molecules. Researchers have leveraged this compound to develop novel inhibitors targeting enzymes involved in critical biological pathways. For instance, its derivatives have shown promise in inhibiting kinases and other enzymes implicated in cancer progression. The carboxylic acid moiety provides a handle for further functionalization via esterification or amidation, expanding its utility in drug discovery.

The pharmaceutical industry has increasingly recognized the importance of halogenated aromatic compounds due to their enhanced binding affinity and selectivity. The dichloro and fluoro substituents in 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid contribute to these desirable properties by improving interactions with biological targets. This has led to several preclinical studies investigating its potential as a lead compound for drug development.

Advances in computational chemistry have further accelerated the exploration of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid. Molecular modeling techniques have been employed to predict its binding modes with various protein targets, aiding in the rational design of more potent derivatives. These computational approaches complement experimental efforts, providing a holistic strategy for optimizing the compound's pharmacological profile.

The synthesis of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid involves multi-step organic reactions that require precise control over reaction conditions. Key steps typically include halogenation of the phenyl ring followed by cyclization to form the isoxazole core. The introduction of the carboxylic acid group at the 3-position is achieved through oxidation or hydrolysis techniques. These synthetic pathways highlight the compound's complexity and the expertise required for its preparation.

Recent publications have demonstrated the utility of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid in developing novel antiviral agents. Its structural features allow it to interact with viral enzymes essential for replication, offering a promising avenue for combating infectious diseases. Additionally, its potential as an anti-inflammatory agent has been explored, with preliminary studies suggesting its ability to modulate inflammatory pathways.

The versatility of 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid extends beyond pharmaceutical applications. It has also been investigated for use in agrochemicals and material science due to its ability to act as a building block for more complex molecules. This broad utility underscores its significance as a chemical entity with far-reaching implications.

In conclusion, 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid (CAS No. 763109-73-5) represents a fascinating compound with substantial potential in medicinal chemistry and beyond. Its unique structural features and biological activity make it a valuable asset in drug discovery efforts aimed at addressing various diseases. As research continues to uncover new applications for this compound, 5-(2,4-Dichloro-5-fluorophenyl)isoxazole-3-carboxylic acid is poised to play an increasingly important role in advancing therapeutic solutions.

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