Cas no 1015845-98-3 (1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde)

1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde is a specialized organic compound featuring a pyrazole core substituted with a 4-butylphenyl group and a formyl functional group at the 4-position. This structure makes it a valuable intermediate in synthetic chemistry, particularly for the preparation of heterocyclic compounds, pharmaceuticals, and agrochemicals. The aldehyde group offers reactivity for further functionalization, enabling applications in coupling reactions, condensation processes, and the synthesis of complex molecular architectures. Its well-defined purity and stability under standard conditions ensure consistent performance in research and industrial settings. The compound is typically handled under controlled conditions due to its sensitivity to air and moisture.
1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde structure
1015845-98-3 structure
Product Name:1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde
CAS No:1015845-98-3
MF:C14H16N2O
MW:228.289643287659
MDL:MFCD08691650
CID:1087088
PubChem ID:26183395
Update Time:2025-08-03

1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde
    • 1-(4-butylphenyl)pyrazole-4-carbaldehyde
    • AG-D-08685
    • Ambcb4021924
    • CTK3J9953
    • MolPort-016-631-098
    • 1H-Pyrazole-4-carboxaldehyde, 1-(4-butylphenyl)-
    • AKOS022185044
    • DTXSID00649832
    • SCHEMBL23036894
    • MFCD08691650
    • CS-0439757
    • BS-35576
    • 1015845-98-3
    • MDL: MFCD08691650
    • Inchi: 1S/C14H16N2O/c1-2-3-4-12-5-7-14(8-6-12)16-10-13(11-17)9-15-16/h5-11H,2-4H2,1H3
    • InChI Key: YWQVXGIBKUUUGG-UHFFFAOYSA-N
    • SMILES: O=CC1C=NN(C=1)C1C=CC(=CC=1)CCCC

Computed Properties

  • Exact Mass: 228.12600
  • Monoisotopic Mass: 228.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 236
  • 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
  • XLogP3: 3.2
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • PSA: 34.89000
  • LogP: 3.02740

1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde 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 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde

Comprehensive Overview of 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde (CAS No. 1015845-98-3)

1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde (CAS No. 1015845-98-3) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry, material science, and synthetic organic research. This compound, characterized by its pyrazole core and aldehyde functional group, serves as a versatile building block for the synthesis of more complex molecules. Its unique structure, featuring a butylphenyl substituent, enhances its lipophilicity, making it particularly valuable in drug discovery and material applications.

The growing interest in 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde is driven by its potential applications in pharmaceutical intermediates and functional materials. Researchers are increasingly exploring its role in the development of novel heterocyclic compounds, which are pivotal in designing bioactive molecules. Recent studies highlight its utility in catalysis and polymer chemistry, aligning with the current trend toward sustainable and efficient synthetic methodologies.

One of the most frequently asked questions about 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde revolves around its synthesis and purification methods. Optimizing the reaction conditions to achieve high yields and purity is a key focus for chemists. Additionally, its solubility and stability under various environmental conditions are critical parameters for industrial applications. These topics are often searched in academic databases and AI-driven research tools, reflecting the compound's relevance in modern chemistry.

From a commercial perspective, 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde is gaining traction as a high-value chemical in the fine chemicals market. Its demand is fueled by the need for custom synthesis and tailor-made molecules in both academia and industry. Suppliers and manufacturers are increasingly listing this compound in their catalogs, emphasizing its purity and application-specific grades to meet diverse customer requirements.

In the context of green chemistry, researchers are investigating eco-friendly routes to synthesize 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde. The use of biocatalysts and renewable feedstocks is a hot topic, aligning with global sustainability goals. This approach not only reduces the environmental footprint but also enhances the compound's appeal for industrial-scale production.

Another area of interest is the compound's potential in material science. Its aromatic and heterocyclic structure makes it a candidate for designing advanced polymers and coating materials. Recent patents and publications highlight its incorporation into photovoltaic materials and electronic devices, showcasing its versatility beyond traditional chemical applications.

For researchers and industry professionals, understanding the spectroscopic properties of 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde is essential. Techniques such as NMR, IR, and mass spectrometry are commonly employed to characterize this compound. Detailed spectral data is often sought after in open-access journals and chemical databases, underscoring the importance of transparency in scientific reporting.

In summary, 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde (CAS No. 1015845-98-3) is a multifaceted compound with broad applications in drug discovery, material science, and sustainable chemistry. Its unique structural features and functional versatility make it a subject of ongoing research and commercial interest. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in advancing innovative technologies and synthetic methodologies.

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