Cas no 433920-88-8 (3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde)

3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde is a fluorinated aromatic aldehyde featuring a pyrazole substituent, making it a versatile intermediate in organic synthesis and pharmaceutical research. The presence of both the aldehyde and pyrazole functional groups allows for further derivatization, enabling applications in the development of bioactive compounds, agrochemicals, and materials science. The fluorine atom enhances metabolic stability and binding affinity in drug design, while the pyrazole moiety contributes to coordination chemistry and heterocyclic diversification. This compound is particularly valuable in cross-coupling reactions, nucleophilic additions, and as a precursor for Schiff base formation. Its well-defined structure and reactivity profile make it a useful building block for specialized synthetic pathways.
3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde structure
433920-88-8 structure
Product Name:3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde
CAS No:433920-88-8
MF:C10H7FN2O
MW:190.173785448074
MDL:MFCD08669921
CID:328788
PubChem ID:16227922
Update Time:2025-05-24

3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-fluoro-4-(1H-pyrazol-1-yl)-
    • 3-FLUORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE
    • 3-fluoro-4-pyrazol-1-ylbenzaldehyde
    • 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde
    • MDL: MFCD08669921
    • Inchi: 1S/C10H7FN2O/c11-9-6-8(7-14)2-3-10(9)13-5-1-4-12-13/h1-7H
    • InChI Key: JAKXSDVUPAZQMD-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=O)C=CC=1N1C=CC=N1

Computed Properties

  • Exact Mass: 190.05400

Experimental Properties

  • PSA: 34.89000
  • LogP: 1.82390

3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde

Comprehensive Overview of 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde (CAS No. 433920-88-8)

3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde (CAS No. 433920-88-8) is a highly specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This fluorinated benzaldehyde derivative is characterized by its unique molecular structure, which combines a pyrazole ring with a benzaldehyde core. The presence of the fluoro substituent at the 3-position enhances its reactivity and potential applications in drug discovery and material science. Researchers are particularly interested in its role as a key intermediate in the synthesis of bioactive molecules, owing to its ability to participate in diverse chemical reactions such as condensation, nucleophilic substitution, and cross-coupling reactions.

In recent years, the demand for 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde has surged due to its relevance in the development of small-molecule inhibitors and heterocyclic compounds. Its structural features make it a valuable building block for designing kinase inhibitors, which are pivotal in targeting cancer and inflammatory diseases. The compound's pyrazole moiety is particularly noteworthy, as pyrazole derivatives are known for their pharmacological versatility and presence in FDA-approved drugs. Additionally, the aldehyde functional group offers a reactive handle for further derivatization, enabling the creation of libraries of compounds for high-throughput screening.

The synthesis of 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde typically involves multi-step organic reactions, including Pd-catalyzed cross-coupling and halogenation processes. Advanced techniques such as microwave-assisted synthesis have been explored to improve yield and efficiency. Analytical methods like HPLC, NMR, and mass spectrometry are employed to ensure purity and structural integrity. The compound's physicochemical properties, including solubility and stability, are critical for its application in formulation studies. Researchers are also investigating its potential in green chemistry initiatives, aiming to reduce environmental impact during production.

From a commercial perspective, 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde is supplied by leading chemical manufacturers and custom synthesis providers. Its market growth is driven by the expanding pharmaceutical industry and the increasing focus on precision medicine. The compound's CAS No. 433920-88-8 serves as a unique identifier in regulatory and safety documentation, ensuring compliance with global standards. As the scientific community continues to explore its applications, 3-Fluoro-4-(1H-pyrazol-1-yl)benzaldehyde remains a compound of significant interest for both academic and industrial research.

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